REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1h4t_1_C DATA FIRST_RESID 5 DATA SEQUENCE KGLTPQSQDF SEWYLEVIQK AELADYGPVR GTIVVRPYGY AIWENIQQVL DATA SEQUENCE DRMFKETGHQ NAYFPLFIPM SFLXXXXXXX XXFSPELAVV THAGGEELEE DATA SEQUENCE PLAVRPTSET VIGYMWSKWI RSWRDLPQLL NQWGNVVRWE MRTRPFLRTS DATA SEQUENCE EFLWQEGHTA HATREEAEEE VRRMLSIYAR LAREYAAIPV IEGLKTEKEK DATA SEQUENCE FAGAVYTTTI EALMKDGKAL QAGTSHYLGE NFARAFDIKF QDRDLQVKYV DATA SEQUENCE HTTSWGLSWR FIGAIIMTHG DDRGLVLPPR LAPIQVVIVP IYKDESRERV DATA SEQUENCE LEAAQGLRQA LLAQGLRVHL DDRDQHTPGY KFHEWELKGV PFRVELGPKD DATA SEQUENCE LEGGQAVLAS RLGGKETLPL AALPEALPGK LDAFHEELYR RALAFREDHT DATA SEQUENCE RKVDTYEAFK EAVQEGFALA FHCGDKACER LIQEETTATT RCVPFEAEPE DATA SEQUENCE EGFCVRCGRP SAYGKRVVFA KAY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.603 176.600 0.006 0.000 0.988 5 K CA 0.000 56.285 56.287 -0.003 0.000 0.838 5 K CB 0.000 32.500 32.500 0.000 0.000 1.064 6 G N 2.834 111.644 108.800 0.016 0.000 2.716 6 G HA2 0.228 4.188 3.960 -0.000 0.000 0.251 6 G HA3 0.228 4.188 3.960 -0.000 0.000 0.251 6 G C -0.071 174.857 174.900 0.047 0.000 1.224 6 G CA -0.653 44.471 45.100 0.039 0.000 0.891 6 G HN 0.500 nan 8.290 nan 0.000 0.561 7 L N 0.205 121.469 121.223 0.068 0.000 2.453 7 L HA 0.122 4.462 4.340 -0.000 0.000 0.272 7 L C 0.930 177.885 176.870 0.142 0.000 1.182 7 L CA -0.200 54.693 54.840 0.087 0.000 0.858 7 L CB 0.514 42.649 42.059 0.127 0.000 1.120 7 L HN 0.367 nan 8.230 nan 0.000 0.474 8 T N 5.130 119.774 114.554 0.150 0.000 2.817 8 T HA 0.120 4.470 4.350 -0.000 0.000 0.295 8 T C -2.150 172.690 174.700 0.232 0.000 0.958 8 T CA -0.806 61.388 62.100 0.156 0.000 1.157 8 T CB 0.223 69.176 68.868 0.141 0.000 0.898 8 T HN 0.399 nan 8.240 nan 0.000 0.536 9 P HA 0.017 nan 4.420 nan 0.000 0.266 9 P C 0.682 178.002 177.300 0.034 0.000 1.195 9 P CA 0.043 63.191 63.100 0.081 0.000 0.768 9 P CB 0.791 32.519 31.700 0.046 0.000 0.838 10 Q N 1.879 121.586 119.800 -0.156 0.000 2.197 10 Q HA -0.170 4.170 4.340 -0.000 0.000 0.207 10 Q C 2.106 178.140 176.000 0.057 0.000 0.984 10 Q CA 2.252 57.977 55.803 -0.129 0.000 0.869 10 Q CB -0.502 28.043 28.738 -0.322 0.000 0.906 10 Q HN 0.635 nan 8.270 nan 0.000 0.426 11 S N 0.092 115.796 115.700 0.006 0.000 2.423 11 S HA -0.222 4.247 4.470 -0.000 0.000 0.231 11 S C 1.920 176.548 174.600 0.045 0.000 1.014 11 S CA 1.125 59.337 58.200 0.020 0.000 0.965 11 S CB -0.127 63.076 63.200 0.004 0.000 0.785 11 S HN 0.389 nan 8.310 nan 0.000 0.495 12 Q N 1.293 121.129 119.800 0.059 0.000 2.008 12 Q HA -0.017 4.323 4.340 -0.000 0.000 0.196 12 Q C -0.388 175.668 176.000 0.093 0.000 0.973 12 Q CA 1.506 57.349 55.803 0.068 0.000 0.826 12 Q CB 0.220 28.999 28.738 0.068 0.000 0.894 12 Q HN 0.500 nan 8.270 nan 0.000 0.439 13 D N -0.910 119.571 120.400 0.136 0.000 2.337 13 D HA 0.044 4.684 4.640 -0.000 0.000 0.238 13 D C -0.494 175.961 176.300 0.259 0.000 1.331 13 D CA -0.363 53.738 54.000 0.169 0.000 0.967 13 D CB -0.006 40.872 40.800 0.131 0.000 1.382 13 D HN 0.165 nan 8.370 nan 0.000 0.549 14 F N 2.335 122.358 119.950 0.121 0.000 2.091 14 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 14 F C 2.108 178.104 175.800 0.327 0.000 1.103 14 F CA 1.809 59.923 58.000 0.190 0.000 1.228 14 F CB 0.023 39.080 39.000 0.094 0.000 0.984 14 F HN 0.302 nan 8.300 nan 0.000 0.477 15 S N -0.369 115.549 115.700 0.362 0.000 2.359 15 S HA -0.262 4.208 4.470 -0.000 0.000 0.224 15 S C 1.861 176.586 174.600 0.208 0.000 1.035 15 S CA 1.543 59.900 58.200 0.262 0.000 1.018 15 S CB -0.448 62.875 63.200 0.206 0.000 0.876 15 S HN 0.409 nan 8.310 nan 0.000 0.448 16 E N 0.443 120.752 120.200 0.181 0.000 2.106 16 E HA -0.139 4.210 4.350 -0.000 0.000 0.192 16 E C 1.554 178.225 176.600 0.118 0.000 0.984 16 E CA 1.112 57.591 56.400 0.132 0.000 0.806 16 E CB -0.384 29.384 29.700 0.114 0.000 0.750 16 E HN 0.660 nan 8.360 nan 0.000 0.458 17 W N 0.003 121.279 121.300 -0.040 0.000 2.333 17 W HA -0.303 4.357 4.660 -0.000 0.000 0.316 17 W C 2.079 178.518 176.519 -0.132 0.000 1.215 17 W CA 2.355 59.635 57.345 -0.108 0.000 1.278 17 W CB -1.080 28.263 29.460 -0.196 0.000 1.154 17 W HN 0.232 nan 8.180 nan 0.000 0.486 18 Y N 0.613 120.749 120.300 -0.272 0.000 2.081 18 Y HA -0.334 4.216 4.550 -0.000 0.000 0.280 18 Y C 2.235 177.910 175.900 -0.375 0.000 1.163 18 Y CA 2.633 60.445 58.100 -0.480 0.000 1.135 18 Y CB -0.926 37.420 38.460 -0.190 0.000 0.970 18 Y HN -0.042 nan 8.280 nan 0.000 0.498 19 L N 0.779 121.991 121.223 -0.018 0.000 2.012 19 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 19 L C 2.325 179.085 176.870 -0.184 0.000 1.073 19 L CA 2.063 56.877 54.840 -0.044 0.000 0.748 19 L CB -1.107 41.005 42.059 0.089 0.000 0.891 19 L HN 0.340 nan 8.230 nan 0.000 0.431 20 E N -1.235 118.838 120.200 -0.212 0.000 2.051 20 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 20 E C 2.325 178.716 176.600 -0.348 0.000 0.991 20 E CA 1.360 57.626 56.400 -0.224 0.000 0.799 20 E CB -0.502 29.094 29.700 -0.172 0.000 0.748 20 E HN 0.306 nan 8.360 nan 0.000 0.449 21 V N 1.679 121.232 119.914 -0.603 0.000 2.332 21 V HA -0.246 3.874 4.120 -0.000 0.000 0.248 21 V C 2.103 177.916 176.094 -0.469 0.000 1.055 21 V CA 1.523 63.444 62.300 -0.631 0.000 1.038 21 V CB -0.290 30.900 31.823 -1.055 0.000 0.651 21 V HN 0.266 nan 8.190 nan 0.000 0.450 22 I N -0.416 119.844 120.570 -0.517 0.000 2.335 22 I HA -0.287 3.883 4.170 -0.000 0.000 0.251 22 I C 2.529 178.508 176.117 -0.230 0.000 1.129 22 I CA 1.985 63.067 61.300 -0.364 0.000 1.402 22 I CB -0.205 37.555 38.000 -0.400 0.000 1.069 22 I HN 0.414 nan 8.210 nan 0.000 0.424 23 Q N 0.613 120.287 119.800 -0.211 0.000 2.096 23 Q HA -0.115 4.225 4.340 -0.000 0.000 0.197 23 Q C 2.121 178.041 176.000 -0.133 0.000 0.964 23 Q CA 1.217 56.938 55.803 -0.136 0.000 0.838 23 Q CB 0.166 28.857 28.738 -0.079 0.000 0.906 23 Q HN 0.124 nan 8.270 nan 0.000 0.444 24 K N -0.241 120.060 120.400 -0.165 0.000 2.155 24 K HA 0.067 4.387 4.320 -0.000 0.000 0.203 24 K C 1.603 178.090 176.600 -0.187 0.000 1.052 24 K CA 1.132 57.321 56.287 -0.163 0.000 0.948 24 K CB -0.277 32.121 32.500 -0.170 0.000 0.728 24 K HN 0.212 nan 8.250 nan 0.000 0.448 25 A N 0.989 123.700 122.820 -0.183 0.000 2.238 25 A HA -0.014 4.306 4.320 -0.000 0.000 0.208 25 A C -0.154 177.383 177.584 -0.079 0.000 1.177 25 A CA 0.129 52.077 52.037 -0.148 0.000 0.804 25 A CB -0.334 18.618 19.000 -0.081 0.000 0.823 25 A HN 0.410 nan 8.150 nan 0.000 0.482 26 E N -1.778 118.370 120.200 -0.086 0.000 2.320 26 E HA -0.222 4.128 4.350 -0.000 0.000 0.234 26 E C 0.156 176.783 176.600 0.045 0.000 1.183 26 E CA 0.278 56.654 56.400 -0.040 0.000 0.713 26 E CB -1.622 28.044 29.700 -0.056 0.000 1.226 26 E HN 0.441 nan 8.360 nan 0.000 0.382 27 L N -0.622 120.617 121.223 0.027 0.000 2.168 27 L HA 0.249 4.588 4.340 -0.000 0.000 0.203 27 L C 1.041 177.958 176.870 0.078 0.000 1.078 27 L CA 2.068 56.960 54.840 0.086 0.000 0.780 27 L CB 0.118 42.206 42.059 0.048 0.000 0.939 27 L HN 0.425 nan 8.230 nan 0.000 0.451 28 A N -2.529 120.250 122.820 -0.067 0.000 2.588 28 A HA 0.671 4.991 4.320 -0.000 0.000 0.290 28 A C -1.698 175.702 177.584 -0.306 0.000 1.136 28 A CA -0.429 51.459 52.037 -0.249 0.000 0.681 28 A CB 1.488 20.146 19.000 -0.571 0.000 1.282 28 A HN -0.023 nan 8.150 nan 0.000 0.421 29 D N -2.141 118.027 120.400 -0.386 0.000 2.643 29 D HA 0.532 5.172 4.640 -0.000 0.000 0.283 29 D C -1.929 174.095 176.300 -0.461 0.000 1.242 29 D CA -0.130 53.660 54.000 -0.350 0.000 0.863 29 D CB 1.030 41.754 40.800 -0.125 0.000 1.382 29 D HN 0.325 nan 8.370 nan 0.000 0.444 30 Y N 0.225 120.469 120.300 -0.094 0.000 2.327 30 Y HA 0.552 5.102 4.550 -0.000 0.000 0.336 30 Y C 1.308 177.174 175.900 -0.057 0.000 1.035 30 Y CA -0.415 57.635 58.100 -0.083 0.000 1.165 30 Y CB 1.525 39.943 38.460 -0.070 0.000 1.181 30 Y HN 0.279 nan 8.280 nan 0.000 0.494 31 G N 3.387 112.223 108.800 0.061 0.000 2.599 31 G HA2 0.195 4.155 3.960 -0.000 0.000 0.264 31 G HA3 0.195 4.155 3.960 -0.000 0.000 0.264 31 G C -1.339 173.596 174.900 0.058 0.000 1.200 31 G CA -1.178 43.947 45.100 0.041 0.000 0.896 31 G HN 0.504 nan 8.290 nan 0.000 0.536 32 P HA -0.072 nan 4.420 nan 0.000 0.218 32 P C 0.585 177.911 177.300 0.045 0.000 1.148 32 P CA 0.582 63.707 63.100 0.041 0.000 0.822 32 P CB 0.101 31.822 31.700 0.035 0.000 0.784 33 V N 1.973 121.917 119.914 0.050 0.000 2.498 33 V HA 0.168 4.288 4.120 -0.000 0.000 0.279 33 V C 1.152 177.267 176.094 0.034 0.000 1.048 33 V CA -0.761 61.574 62.300 0.059 0.000 0.967 33 V CB 0.602 32.473 31.823 0.080 0.000 0.988 33 V HN 0.052 nan 8.190 nan 0.000 0.473 34 R N 3.196 123.716 120.500 0.033 0.000 2.623 34 R HA 0.351 4.691 4.340 -0.000 0.000 0.271 34 R C 1.254 177.498 176.300 -0.092 0.000 1.043 34 R CA 1.150 57.248 56.100 -0.004 0.000 1.083 34 R CB 0.153 30.462 30.300 0.014 0.000 0.974 34 R HN 1.116 nan 8.270 nan 0.000 0.436 35 G N 1.801 110.544 108.800 -0.096 0.000 2.176 35 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.253 35 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.253 35 G C 0.097 174.910 174.900 -0.145 0.000 0.979 35 G CA 0.474 45.460 45.100 -0.190 0.000 0.641 35 G HN 0.732 nan 8.290 nan 0.000 0.530 36 T N 0.541 115.057 114.554 -0.063 0.000 2.887 36 T HA 0.715 5.065 4.350 -0.000 0.000 0.288 36 T C 0.091 174.779 174.700 -0.019 0.000 1.021 36 T CA -0.084 61.998 62.100 -0.030 0.000 1.000 36 T CB 1.197 70.054 68.868 -0.018 0.000 1.034 36 T HN 1.061 nan 8.240 nan 0.000 0.467 37 I N 1.489 122.021 120.570 -0.063 0.000 3.002 37 I HA 0.907 5.077 4.170 -0.000 0.000 0.310 37 I C -0.718 175.313 176.117 -0.143 0.000 1.087 37 I CA -1.387 59.793 61.300 -0.200 0.000 1.017 37 I CB 2.164 39.892 38.000 -0.455 0.000 1.226 37 I HN 0.433 nan 8.210 nan 0.000 0.443 38 V N 2.590 122.390 119.914 -0.190 0.000 2.495 38 V HA 0.607 4.727 4.120 -0.000 0.000 0.298 38 V C -0.517 175.472 176.094 -0.175 0.000 1.031 38 V CA -0.481 61.753 62.300 -0.111 0.000 0.871 38 V CB 1.502 33.286 31.823 -0.065 0.000 0.988 38 V HN 0.607 nan 8.190 nan 0.000 0.432 39 V N 7.309 127.162 119.914 -0.101 0.000 2.368 39 V HA 0.471 4.590 4.120 -0.000 0.000 0.266 39 V C 0.921 177.042 176.094 0.045 0.000 1.045 39 V CA -0.489 61.777 62.300 -0.057 0.000 0.899 39 V CB 0.435 32.300 31.823 0.070 0.000 1.006 39 V HN 0.959 nan 8.190 nan 0.000 0.470 40 R N 4.909 125.429 120.500 0.035 0.000 2.707 40 R HA 0.177 4.517 4.340 -0.000 0.000 0.270 40 R C -1.465 174.919 176.300 0.140 0.000 1.083 40 R CA -1.426 54.710 56.100 0.060 0.000 1.182 40 R CB 0.140 30.465 30.300 0.042 0.000 1.084 40 R HN 0.361 nan 8.270 nan 0.000 0.528 41 P HA -0.256 nan 4.420 nan 0.000 0.216 41 P C 1.152 178.598 177.300 0.242 0.000 1.167 41 P CA 1.591 64.799 63.100 0.180 0.000 0.914 41 P CB -0.196 31.584 31.700 0.134 0.000 0.793 42 Y N -0.070 120.280 120.300 0.085 0.000 2.165 42 Y HA -0.220 4.330 4.550 -0.000 0.000 0.286 42 Y C 2.474 178.419 175.900 0.075 0.000 1.155 42 Y CA 1.760 59.903 58.100 0.070 0.000 1.164 42 Y CB -0.835 37.650 38.460 0.041 0.000 0.978 42 Y HN -0.098 nan 8.280 nan 0.000 0.513 43 G N -1.401 107.451 108.800 0.087 0.000 2.402 43 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.216 43 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.216 43 G C 1.399 176.345 174.900 0.077 0.000 1.162 43 G CA 0.852 45.955 45.100 0.004 0.000 0.777 43 G HN 0.529 nan 8.290 nan 0.000 0.539 44 Y N 2.055 122.406 120.300 0.085 0.000 2.207 44 Y HA -0.086 4.463 4.550 -0.000 0.000 0.287 44 Y C 2.969 178.956 175.900 0.145 0.000 1.156 44 Y CA 1.219 59.420 58.100 0.168 0.000 1.182 44 Y CB -0.336 38.213 38.460 0.148 0.000 0.979 44 Y HN 0.258 nan 8.280 nan 0.000 0.521 45 A N 0.199 123.080 122.820 0.101 0.000 1.908 45 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 45 A C 2.308 179.832 177.584 -0.099 0.000 1.181 45 A CA 2.068 54.102 52.037 -0.006 0.000 0.627 45 A CB -1.139 17.855 19.000 -0.011 0.000 0.818 45 A HN 0.564 nan 8.150 nan 0.000 0.445 46 I N -1.929 118.565 120.570 -0.126 0.000 2.226 46 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 46 I C 2.542 178.658 176.117 -0.001 0.000 1.100 46 I CA 1.526 62.770 61.300 -0.094 0.000 1.374 46 I CB -0.370 37.552 38.000 -0.129 0.000 1.057 46 I HN 0.724 nan 8.210 nan 0.000 0.413 47 W N 2.351 123.532 121.300 -0.198 0.000 2.363 47 W HA -0.188 4.472 4.660 -0.000 0.000 0.296 47 W C 2.175 178.520 176.519 -0.290 0.000 1.212 47 W CA 1.409 58.642 57.345 -0.186 0.000 1.260 47 W CB 0.012 29.354 29.460 -0.197 0.000 1.131 47 W HN 0.214 nan 8.180 nan 0.000 0.530 48 E N 0.061 120.023 120.200 -0.396 0.000 2.110 48 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 48 E C 1.738 178.097 176.600 -0.402 0.000 0.988 48 E CA 1.059 57.190 56.400 -0.448 0.000 0.804 48 E CB -0.423 29.131 29.700 -0.244 0.000 0.745 48 E HN 0.239 nan 8.360 nan 0.000 0.458 49 N N 0.865 119.400 118.700 -0.274 0.000 2.244 49 N HA -0.085 4.654 4.740 -0.000 0.000 0.183 49 N C 1.864 177.198 175.510 -0.293 0.000 1.016 49 N CA 0.774 53.693 53.050 -0.220 0.000 0.866 49 N CB -0.035 38.384 38.487 -0.114 0.000 0.980 49 N HN 0.215 nan 8.380 nan 0.000 0.430 50 I N 1.269 121.619 120.570 -0.366 0.000 2.286 50 I HA -0.230 3.939 4.170 -0.000 0.000 0.245 50 I C 2.199 177.961 176.117 -0.591 0.000 1.104 50 I CA 0.894 61.927 61.300 -0.445 0.000 1.397 50 I CB -0.165 37.577 38.000 -0.430 0.000 1.072 50 I HN 0.120 nan 8.210 nan 0.000 0.417 51 Q N 0.338 119.620 119.800 -0.863 0.000 2.084 51 Q HA -0.259 4.080 4.340 -0.000 0.000 0.202 51 Q C 2.240 177.828 176.000 -0.687 0.000 0.978 51 Q CA 1.460 56.593 55.803 -1.116 0.000 0.844 51 Q CB -0.149 27.648 28.738 -1.568 0.000 0.898 51 Q HN 0.571 nan 8.270 nan 0.000 0.426 52 Q N -0.136 119.350 119.800 -0.523 0.000 2.050 52 Q HA -0.148 4.191 4.340 -0.000 0.000 0.202 52 Q C 2.253 178.064 176.000 -0.316 0.000 0.980 52 Q CA 1.599 57.191 55.803 -0.352 0.000 0.840 52 Q CB -0.039 28.542 28.738 -0.262 0.000 0.898 52 Q HN 0.213 nan 8.270 nan 0.000 0.424 53 V N 1.041 120.735 119.914 -0.367 0.000 2.343 53 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 53 V C 2.175 177.977 176.094 -0.487 0.000 1.051 53 V CA 1.507 63.537 62.300 -0.451 0.000 1.036 53 V CB -0.506 30.911 31.823 -0.676 0.000 0.654 53 V HN 0.344 nan 8.190 nan 0.000 0.451 54 L N -0.456 120.460 121.223 -0.513 0.000 2.056 54 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 54 L C 2.417 178.775 176.870 -0.853 0.000 1.078 54 L CA 1.462 55.841 54.840 -0.768 0.000 0.749 54 L CB -0.700 40.952 42.059 -0.679 0.000 0.901 54 L HN 0.309 nan 8.230 nan 0.000 0.433 55 D N 0.155 120.348 120.400 -0.345 0.000 2.149 55 D HA -0.168 4.472 4.640 -0.000 0.000 0.198 55 D C 2.356 178.623 176.300 -0.056 0.000 0.990 55 D CA 1.144 55.112 54.000 -0.053 0.000 0.839 55 D CB 0.077 40.865 40.800 -0.020 0.000 0.948 55 D HN 0.212 nan 8.370 nan 0.000 0.460 56 R N -0.446 119.969 120.500 -0.142 0.000 2.062 56 R HA 0.015 4.355 4.340 -0.000 0.000 0.231 56 R C 2.576 178.846 176.300 -0.050 0.000 1.136 56 R CA 0.936 56.990 56.100 -0.075 0.000 0.948 56 R CB -0.245 29.997 30.300 -0.097 0.000 0.845 56 R HN 0.228 nan 8.270 nan 0.000 0.430 57 M N -0.135 119.377 119.600 -0.145 0.000 2.149 57 M HA -0.170 4.310 4.480 -0.000 0.000 0.261 57 M C 1.781 178.142 176.300 0.102 0.000 1.064 57 M CA 1.532 56.785 55.300 -0.077 0.000 1.102 57 M CB -0.237 32.257 32.600 -0.175 0.000 1.369 57 M HN 0.065 nan 8.290 nan 0.000 0.408 58 F N 0.538 120.468 119.950 -0.033 0.000 2.113 58 F HA -0.114 4.413 4.527 -0.000 0.000 0.297 58 F C 2.480 178.384 175.800 0.174 0.000 1.103 58 F CA 1.160 59.151 58.000 -0.015 0.000 1.248 58 F CB -1.250 37.762 39.000 0.020 0.000 0.999 58 F HN 0.104 nan 8.300 nan 0.000 0.475 59 K N 0.675 121.273 120.400 0.330 0.000 2.057 59 K HA -0.193 4.127 4.320 -0.000 0.000 0.207 59 K C 1.758 178.458 176.600 0.168 0.000 1.049 59 K CA 1.713 58.139 56.287 0.233 0.000 0.931 59 K CB -0.124 32.468 32.500 0.153 0.000 0.714 59 K HN 0.275 nan 8.250 nan 0.000 0.440 60 E N -0.460 119.818 120.200 0.130 0.000 2.265 60 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 60 E C 0.994 177.649 176.600 0.093 0.000 0.996 60 E CA 1.448 57.899 56.400 0.085 0.000 0.832 60 E CB 0.029 29.761 29.700 0.053 0.000 0.756 60 E HN 0.438 nan 8.360 nan 0.000 0.491 61 T N -2.730 111.921 114.554 0.161 0.000 3.223 61 T HA 0.401 4.751 4.350 -0.000 0.000 0.259 61 T C 1.207 175.926 174.700 0.032 0.000 1.015 61 T CA 0.023 62.204 62.100 0.135 0.000 0.908 61 T CB 0.641 69.636 68.868 0.210 0.000 1.054 61 T HN 0.217 nan 8.240 nan 0.000 0.567 62 G N 1.373 110.199 108.800 0.044 0.000 2.148 62 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.254 62 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.254 62 G C -0.244 174.605 174.900 -0.085 0.000 0.981 62 G CA -0.029 45.044 45.100 -0.045 0.000 0.670 62 G HN 0.757 nan 8.290 nan 0.000 0.528 63 H N 0.139 119.281 119.070 0.119 0.000 2.487 63 H HA 0.675 5.231 4.556 -0.000 0.000 0.333 63 H C 0.485 175.910 175.328 0.162 0.000 1.114 63 H CA 0.096 56.235 56.048 0.151 0.000 1.310 63 H CB 0.943 30.816 29.762 0.184 0.000 1.462 63 H HN 0.423 nan 8.280 nan 0.000 0.516 64 Q N 1.767 121.724 119.800 0.261 0.000 2.365 64 Q HA 0.330 4.670 4.340 -0.000 0.000 0.269 64 Q C -0.579 175.553 176.000 0.220 0.000 1.061 64 Q CA -1.285 54.643 55.803 0.209 0.000 0.816 64 Q CB 2.005 30.828 28.738 0.141 0.000 1.325 64 Q HN 0.606 nan 8.270 nan 0.000 0.446 65 N N 0.591 119.425 118.700 0.223 0.000 2.513 65 N HA 0.634 5.374 4.740 -0.000 0.000 0.274 65 N C -0.946 174.680 175.510 0.193 0.000 1.189 65 N CA 0.103 53.292 53.050 0.233 0.000 0.975 65 N CB 1.441 40.112 38.487 0.306 0.000 1.157 65 N HN 0.687 nan 8.380 nan 0.000 0.465 66 A N 0.557 123.501 122.820 0.207 0.000 2.568 66 A HA 0.608 4.928 4.320 -0.000 0.000 0.291 66 A C -2.094 175.613 177.584 0.204 0.000 1.159 66 A CA -0.530 51.596 52.037 0.148 0.000 0.679 66 A CB 1.207 20.281 19.000 0.123 0.000 1.285 66 A HN 0.551 nan 8.150 nan 0.000 0.428 67 Y N -0.014 120.215 120.300 -0.118 0.000 2.354 67 Y HA 0.675 5.225 4.550 -0.000 0.000 0.330 67 Y C -1.772 173.978 175.900 -0.250 0.000 1.011 67 Y CA -1.296 56.767 58.100 -0.061 0.000 1.099 67 Y CB 1.159 39.606 38.460 -0.023 0.000 1.179 67 Y HN 0.542 nan 8.280 nan 0.000 0.442 68 F N 6.177 125.742 119.950 -0.642 0.000 2.440 68 F HA 0.635 5.162 4.527 -0.000 0.000 0.328 68 F C -1.920 173.441 175.800 -0.730 0.000 1.070 68 F CA -2.578 55.105 58.000 -0.528 0.000 1.011 68 F CB 0.787 39.518 39.000 -0.449 0.000 1.226 68 F HN 0.415 nan 8.300 nan 0.000 0.491 69 P HA -0.075 nan 4.420 nan 0.000 0.264 69 P C 0.610 177.738 177.300 -0.286 0.000 1.179 69 P CA 0.108 63.068 63.100 -0.234 0.000 0.763 69 P CB 0.544 32.170 31.700 -0.122 0.000 0.806 70 L N 4.288 125.309 121.223 -0.336 0.000 2.027 70 L HA 0.055 4.395 4.340 -0.000 0.000 0.206 70 L C 0.550 177.212 176.870 -0.346 0.000 1.074 70 L CA 1.420 56.016 54.840 -0.407 0.000 0.745 70 L CB -0.757 40.919 42.059 -0.639 0.000 0.898 70 L HN 0.213 nan 8.230 nan 0.000 0.433 71 F N 0.363 120.246 119.950 -0.112 0.000 2.412 71 F HA 0.353 4.880 4.527 -0.000 0.000 0.348 71 F C 0.328 175.998 175.800 -0.217 0.000 1.102 71 F CA -0.521 57.391 58.000 -0.146 0.000 1.196 71 F CB 0.474 39.397 39.000 -0.129 0.000 1.144 71 F HN -0.211 nan 8.300 nan 0.000 0.541 72 I N 3.739 124.289 120.570 -0.033 0.000 2.545 72 I HA 0.301 4.471 4.170 -0.000 0.000 0.292 72 I C -2.557 173.414 176.117 -0.244 0.000 1.040 72 I CA -2.504 58.654 61.300 -0.237 0.000 1.068 72 I CB 2.373 40.261 38.000 -0.186 0.000 1.251 72 I HN 0.237 nan 8.210 nan 0.000 0.424 73 P HA 0.125 nan 4.420 nan 0.000 0.267 73 P C 0.749 178.035 177.300 -0.024 0.000 1.205 73 P CA -0.272 62.694 63.100 -0.224 0.000 0.765 73 P CB 0.486 32.016 31.700 -0.284 0.000 0.828 74 M N 1.925 121.525 119.600 -0.001 0.000 2.108 74 M HA -0.175 4.305 4.480 -0.000 0.000 0.257 74 M C 1.701 178.088 176.300 0.145 0.000 1.071 74 M CA 2.059 57.394 55.300 0.058 0.000 1.093 74 M CB -1.723 30.914 32.600 0.062 0.000 1.345 74 M HN 0.315 nan 8.290 nan 0.000 0.403 75 S N 0.363 116.166 115.700 0.171 0.000 2.407 75 S HA -0.176 4.294 4.470 -0.000 0.000 0.235 75 S C 1.687 176.430 174.600 0.239 0.000 1.036 75 S CA 1.291 59.599 58.200 0.181 0.000 1.013 75 S CB -0.761 62.548 63.200 0.181 0.000 0.820 75 S HN 0.322 nan 8.310 nan 0.000 0.476 76 F N 1.518 121.499 119.950 0.052 0.000 2.293 76 F HA 0.222 4.749 4.527 -0.000 0.000 0.300 76 F C 1.232 177.119 175.800 0.145 0.000 1.086 76 F CA 0.125 58.216 58.000 0.151 0.000 1.375 76 F CB -0.531 38.571 39.000 0.170 0.000 1.045 76 F HN 0.121 nan 8.300 nan 0.000 0.516 88 S N 3.101 118.918 115.700 0.196 0.000 2.558 88 S HA 0.158 4.628 4.470 -0.000 0.000 0.293 88 S C -1.520 173.143 174.600 0.105 0.000 1.292 88 S CA -0.468 57.801 58.200 0.115 0.000 1.063 88 S CB 0.814 64.071 63.200 0.095 0.000 0.831 88 S HN 0.437 nan 8.310 nan 0.000 0.499 89 P HA -0.084 nan 4.420 nan 0.000 0.218 89 P C 1.275 178.655 177.300 0.134 0.000 1.148 89 P CA 0.937 64.094 63.100 0.095 0.000 0.822 89 P CB 0.071 31.835 31.700 0.105 0.000 0.784 90 E N -0.699 119.584 120.200 0.138 0.000 2.118 90 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 90 E C 0.037 176.740 176.600 0.172 0.000 0.992 90 E CA 0.620 57.122 56.400 0.171 0.000 0.804 90 E CB -0.204 29.572 29.700 0.125 0.000 0.741 90 E HN 0.057 nan 8.360 nan 0.000 0.458 91 L N 0.849 122.122 121.223 0.083 0.000 2.349 91 L HA 0.241 4.580 4.340 -0.000 0.000 0.275 91 L C -0.029 176.785 176.870 -0.094 0.000 1.115 91 L CA 0.069 54.917 54.840 0.012 0.000 0.820 91 L CB 1.235 43.274 42.059 -0.034 0.000 1.135 91 L HN 0.000 nan 8.230 nan 0.000 0.445 92 A N 4.292 127.065 122.820 -0.080 0.000 2.260 92 A HA 0.648 4.968 4.320 -0.000 0.000 0.312 92 A C -0.463 177.007 177.584 -0.190 0.000 1.321 92 A CA -0.480 51.439 52.037 -0.198 0.000 0.928 92 A CB 0.251 19.245 19.000 -0.010 0.000 1.158 92 A HN 0.429 nan 8.150 nan 0.000 0.542 93 V N 3.068 122.808 119.914 -0.290 0.000 2.532 93 V HA 0.463 4.583 4.120 -0.000 0.000 0.295 93 V C 0.147 176.079 176.094 -0.270 0.000 1.041 93 V CA -0.600 61.479 62.300 -0.368 0.000 0.926 93 V CB 1.595 32.971 31.823 -0.744 0.000 0.992 93 V HN 0.712 nan 8.190 nan 0.000 0.457 94 V N 4.808 124.568 119.914 -0.256 0.000 2.370 94 V HA 0.506 4.626 4.120 -0.000 0.000 0.283 94 V C 0.909 176.880 176.094 -0.205 0.000 1.023 94 V CA 0.687 62.863 62.300 -0.206 0.000 0.857 94 V CB 1.715 33.380 31.823 -0.264 0.000 0.985 94 V HN 1.110 nan 8.190 nan 0.000 0.443 95 T N 1.888 116.378 114.554 -0.107 0.000 2.959 95 T HA 0.288 4.638 4.350 -0.000 0.000 0.254 95 T C 0.500 175.201 174.700 0.001 0.000 1.003 95 T CA 0.218 62.289 62.100 -0.048 0.000 0.950 95 T CB -0.195 68.687 68.868 0.024 0.000 1.090 95 T HN 0.716 nan 8.240 nan 0.000 0.503 96 H N 0.692 119.703 119.070 -0.098 0.000 2.547 96 H HA 0.741 5.297 4.556 -0.000 0.000 0.342 96 H C -1.414 173.856 175.328 -0.096 0.000 1.048 96 H CA -0.289 55.713 56.048 -0.078 0.000 1.204 96 H CB 1.771 31.503 29.762 -0.050 0.000 1.493 96 H HN 0.468 nan 8.280 nan 0.000 0.511 97 A N 1.801 124.427 122.820 -0.323 0.000 2.604 97 A HA 0.484 4.804 4.320 -0.000 0.000 0.295 97 A C 0.555 178.001 177.584 -0.231 0.000 1.067 97 A CA -0.161 51.756 52.037 -0.201 0.000 0.683 97 A CB 0.725 19.603 19.000 -0.203 0.000 1.281 97 A HN 1.030 nan 8.150 nan 0.000 0.407 98 G N -0.091 108.639 108.800 -0.118 0.000 2.203 98 G HA2 0.195 4.155 3.960 -0.000 0.000 0.263 98 G HA3 0.195 4.155 3.960 -0.000 0.000 0.263 98 G C 1.779 176.615 174.900 -0.105 0.000 1.012 98 G CA 1.487 46.533 45.100 -0.090 0.000 0.749 98 G HN 2.961 nan 8.290 nan 0.000 0.512 99 G N -1.121 107.611 108.800 -0.113 0.000 2.176 99 G HA2 0.102 4.062 3.960 -0.000 0.000 0.252 99 G HA3 0.102 4.062 3.960 -0.000 0.000 0.252 99 G C 0.062 174.843 174.900 -0.198 0.000 1.024 99 G CA 1.409 46.491 45.100 -0.030 0.000 0.755 99 G HN 2.226 nan 8.290 nan 0.000 0.507 100 E N -1.420 118.411 120.200 -0.615 0.000 2.423 100 E HA 0.593 4.943 4.350 -0.000 0.000 0.280 100 E C -0.825 175.403 176.600 -0.621 0.000 1.030 100 E CA -1.138 54.989 56.400 -0.455 0.000 0.812 100 E CB 1.050 30.629 29.700 -0.202 0.000 1.313 100 E HN 0.160 nan 8.360 nan 0.000 0.456 101 E N 1.949 122.011 120.200 -0.230 0.000 2.283 101 E HA 0.248 4.598 4.350 -0.000 0.000 0.278 101 E C -0.491 176.045 176.600 -0.106 0.000 1.027 101 E CA -0.583 55.758 56.400 -0.098 0.000 0.843 101 E CB 0.803 30.527 29.700 0.039 0.000 1.062 101 E HN 0.375 nan 8.360 nan 0.000 0.401 102 L N 4.067 125.229 121.223 -0.103 0.000 2.380 102 L HA 0.076 4.416 4.340 -0.000 0.000 0.273 102 L C 1.687 178.528 176.870 -0.049 0.000 1.138 102 L CA -0.311 54.472 54.840 -0.094 0.000 0.832 102 L CB 0.654 42.641 42.059 -0.121 0.000 1.124 102 L HN 0.716 nan 8.230 nan 0.000 0.454 103 E N 2.165 122.340 120.200 -0.042 0.000 2.077 103 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 103 E C 0.297 176.893 176.600 -0.006 0.000 0.989 103 E CA 1.166 57.555 56.400 -0.018 0.000 0.800 103 E CB 0.446 30.135 29.700 -0.017 0.000 0.746 103 E HN 0.631 nan 8.360 nan 0.000 0.452 104 E N 1.456 121.644 120.200 -0.021 0.000 2.145 104 E HA 0.244 4.594 4.350 -0.000 0.000 0.262 104 E C -2.434 174.138 176.600 -0.046 0.000 0.883 104 E CA -2.421 53.973 56.400 -0.010 0.000 0.748 104 E CB 1.579 31.274 29.700 -0.009 0.000 1.140 104 E HN -0.011 nan 8.360 nan 0.000 0.417 105 P HA 0.076 nan 4.420 nan 0.000 0.270 105 P C -0.494 176.696 177.300 -0.183 0.000 1.223 105 P CA -0.029 62.999 63.100 -0.120 0.000 0.785 105 P CB 1.041 32.673 31.700 -0.112 0.000 0.923 106 L N 0.674 121.743 121.223 -0.256 0.000 2.334 106 L HA 0.686 5.026 4.340 -0.000 0.000 0.273 106 L C 0.385 177.117 176.870 -0.229 0.000 1.013 106 L CA -1.121 53.570 54.840 -0.247 0.000 0.816 106 L CB 1.828 43.677 42.059 -0.349 0.000 1.278 106 L HN 0.371 nan 8.230 nan 0.000 0.431 107 A N 2.009 124.746 122.820 -0.139 0.000 2.304 107 A HA 0.646 4.966 4.320 -0.000 0.000 0.323 107 A C -0.452 177.145 177.584 0.020 0.000 1.195 107 A CA -0.533 51.442 52.037 -0.103 0.000 0.826 107 A CB 1.247 20.188 19.000 -0.098 0.000 1.184 107 A HN 0.398 nan 8.150 nan 0.000 0.496 108 V N 4.192 124.129 119.914 0.038 0.000 2.479 108 V HA 0.074 4.194 4.120 -0.000 0.000 0.281 108 V C 1.169 177.251 176.094 -0.020 0.000 1.031 108 V CA -0.163 62.175 62.300 0.064 0.000 1.038 108 V CB 0.161 32.016 31.823 0.052 0.000 0.981 108 V HN 1.008 nan 8.190 nan 0.000 0.478 109 R N 7.720 128.184 120.500 -0.059 0.000 2.485 109 R HA 0.013 4.353 4.340 -0.000 0.000 0.304 109 R C -2.016 174.222 176.300 -0.104 0.000 0.934 109 R CA -0.405 55.646 56.100 -0.081 0.000 1.102 109 R CB 0.119 30.352 30.300 -0.111 0.000 0.906 109 R HN 0.479 nan 8.270 nan 0.000 0.407 110 P HA 0.049 nan 4.420 nan 0.000 0.232 110 P C 0.007 177.273 177.300 -0.057 0.000 1.170 110 P CA 0.477 63.530 63.100 -0.077 0.000 0.824 110 P CB 0.813 32.520 31.700 0.013 0.000 0.896 111 T N -1.901 112.687 114.554 0.056 0.000 2.786 111 T HA 0.349 4.699 4.350 -0.000 0.000 0.316 111 T C -0.375 174.373 174.700 0.081 0.000 1.503 111 T CA -0.194 62.038 62.100 0.221 0.000 1.019 111 T CB 0.746 69.823 68.868 0.349 0.000 1.415 111 T HN -0.313 nan 8.240 nan 0.000 0.496 112 S N 1.291 116.998 115.700 0.013 0.000 2.578 112 S HA 0.100 4.570 4.470 -0.000 0.000 0.231 112 S C 1.620 175.896 174.600 -0.541 0.000 0.994 112 S CA -0.437 57.584 58.200 -0.299 0.000 0.956 112 S CB 0.210 63.132 63.200 -0.463 0.000 0.870 112 S HN 0.709 nan 8.310 nan 0.000 0.494 113 E N 2.100 122.080 120.200 -0.367 0.000 2.114 113 E HA -0.233 4.117 4.350 -0.000 0.000 0.199 113 E C 2.211 178.449 176.600 -0.604 0.000 1.008 113 E CA 2.075 58.122 56.400 -0.589 0.000 0.810 113 E CB -1.223 27.999 29.700 -0.797 0.000 0.739 113 E HN 0.725 nan 8.360 nan 0.000 0.456 114 T N 0.084 114.435 114.554 -0.339 0.000 2.668 114 T HA -0.103 4.247 4.350 -0.000 0.000 0.262 114 T C 2.321 176.774 174.700 -0.412 0.000 1.045 114 T CA 1.536 63.373 62.100 -0.438 0.000 1.152 114 T CB -0.930 68.097 68.868 0.266 0.000 0.864 114 T HN 0.017 nan 8.240 nan 0.000 0.419 115 V N 2.082 121.855 119.914 -0.235 0.000 2.250 115 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 115 V C 2.782 178.638 176.094 -0.398 0.000 1.060 115 V CA 2.112 64.264 62.300 -0.248 0.000 1.030 115 V CB -0.793 30.839 31.823 -0.317 0.000 0.643 115 V HN 0.512 nan 8.190 nan 0.000 0.445 116 I N 0.427 120.476 120.570 -0.868 0.000 2.286 116 I HA -0.159 4.010 4.170 -0.000 0.000 0.248 116 I C 2.544 178.034 176.117 -1.044 0.000 1.115 116 I CA 1.625 62.104 61.300 -1.368 0.000 1.392 116 I CB -0.865 35.921 38.000 -2.023 0.000 1.065 116 I HN 0.434 nan 8.210 nan 0.000 0.418 117 G N -0.126 108.220 108.800 -0.756 0.000 2.422 117 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.218 117 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.218 117 G C 1.605 176.413 174.900 -0.152 0.000 1.140 117 G CA 0.488 45.364 45.100 -0.374 0.000 0.775 117 G HN 0.403 nan 8.290 nan 0.000 0.545 118 Y N 0.944 121.072 120.300 -0.287 0.000 2.181 118 Y HA -0.087 4.463 4.550 -0.000 0.000 0.288 118 Y C 2.644 178.502 175.900 -0.071 0.000 1.146 118 Y CA 1.650 59.788 58.100 0.063 0.000 1.164 118 Y CB 0.032 38.688 38.460 0.326 0.000 0.982 118 Y HN 0.084 nan 8.280 nan 0.000 0.515 119 M N -1.627 117.796 119.600 -0.294 0.000 2.288 119 M HA -0.175 4.305 4.480 -0.000 0.000 0.266 119 M C 1.705 177.544 176.300 -0.768 0.000 1.072 119 M CA 0.864 55.737 55.300 -0.711 0.000 1.132 119 M CB -1.362 30.717 32.600 -0.868 0.000 1.386 119 M HN 0.462 nan 8.290 nan 0.000 0.432 120 W N 0.647 121.633 121.300 -0.523 0.000 2.467 120 W HA -0.008 4.652 4.660 -0.000 0.000 0.275 120 W C 2.794 179.245 176.519 -0.113 0.000 1.239 120 W CA 1.065 58.255 57.345 -0.257 0.000 1.266 120 W CB -1.375 28.001 29.460 -0.140 0.000 1.112 120 W HN 0.280 nan 8.180 nan 0.000 0.576 121 S N 0.870 116.628 115.700 0.096 0.000 2.370 121 S HA -0.196 4.274 4.470 -0.000 0.000 0.226 121 S C 1.852 176.477 174.600 0.042 0.000 1.033 121 S CA 2.064 60.315 58.200 0.085 0.000 1.011 121 S CB -0.164 63.069 63.200 0.055 0.000 0.852 121 S HN 0.435 nan 8.310 nan 0.000 0.457 122 K N -1.415 118.952 120.400 -0.055 0.000 2.314 122 K HA 0.033 4.353 4.320 -0.000 0.000 0.198 122 K C 1.626 178.375 176.600 0.249 0.000 1.045 122 K CA 0.362 56.671 56.287 0.036 0.000 0.988 122 K CB -0.194 32.284 32.500 -0.037 0.000 0.783 122 K HN 0.394 nan 8.250 nan 0.000 0.484 123 W N 2.164 123.519 121.300 0.092 0.000 2.539 123 W HA 0.288 4.947 4.660 -0.000 0.000 0.281 123 W C 0.874 177.428 176.519 0.059 0.000 1.220 123 W CA -0.531 56.869 57.345 0.092 0.000 1.332 123 W CB -0.263 29.296 29.460 0.165 0.000 1.095 123 W HN -0.150 nan 8.180 nan 0.000 0.571 124 I N 2.496 123.241 120.570 0.291 0.000 2.396 124 I HA 0.095 4.265 4.170 -0.000 0.000 0.289 124 I C 1.272 177.475 176.117 0.143 0.000 1.056 124 I CA 0.083 61.472 61.300 0.148 0.000 1.365 124 I CB 0.935 38.971 38.000 0.061 0.000 1.407 124 I HN -0.236 nan 8.210 nan 0.000 0.509 125 R N 3.049 123.619 120.500 0.117 0.000 2.444 125 R HA 0.222 4.562 4.340 -0.000 0.000 0.201 125 R C 0.380 176.765 176.300 0.142 0.000 0.861 125 R CA 0.319 56.486 56.100 0.112 0.000 1.034 125 R CB 0.352 30.692 30.300 0.067 0.000 1.347 125 R HN 0.711 nan 8.270 nan 0.000 0.659 126 S N -0.663 115.109 115.700 0.119 0.000 2.720 126 S HA 0.245 4.714 4.470 -0.000 0.000 0.287 126 S C 0.691 175.407 174.600 0.193 0.000 1.168 126 S CA -0.790 57.512 58.200 0.171 0.000 0.832 126 S CB 0.607 63.782 63.200 -0.043 0.000 1.166 126 S HN 0.345 nan 8.310 nan 0.000 0.493 127 W N 0.949 122.458 121.300 0.348 0.000 2.468 127 W HA 0.009 4.669 4.660 -0.000 0.000 0.262 127 W C 1.111 177.659 176.519 0.048 0.000 1.241 127 W CA 0.612 58.093 57.345 0.226 0.000 1.232 127 W CB -0.971 28.658 29.460 0.282 0.000 1.124 127 W HN 0.681 nan 8.180 nan 0.000 0.597 128 R N 0.787 120.793 120.500 -0.823 0.000 2.189 128 R HA -0.072 4.268 4.340 -0.000 0.000 0.218 128 R C 1.027 177.134 176.300 -0.320 0.000 1.074 128 R CA 1.283 56.935 56.100 -0.747 0.000 0.991 128 R CB -0.303 29.505 30.300 -0.820 0.000 0.883 128 R HN 0.121 nan 8.270 nan 0.000 0.457 129 D N 0.492 120.758 120.400 -0.224 0.000 2.319 129 D HA 0.088 4.728 4.640 -0.000 0.000 0.230 129 D C 0.275 176.480 176.300 -0.159 0.000 1.094 129 D CA 0.607 54.522 54.000 -0.142 0.000 0.856 129 D CB 0.327 41.082 40.800 -0.075 0.000 0.915 129 D HN 0.154 nan 8.370 nan 0.000 0.517 130 L N 1.100 122.222 121.223 -0.167 0.000 2.333 130 L HA 0.423 4.763 4.340 -0.000 0.000 0.263 130 L C -2.242 174.564 176.870 -0.107 0.000 1.014 130 L CA -1.937 52.781 54.840 -0.202 0.000 0.820 130 L CB 2.367 44.240 42.059 -0.310 0.000 1.352 130 L HN -0.250 nan 8.230 nan 0.000 0.421 131 P HA 0.148 nan 4.420 nan 0.000 0.276 131 P C -1.477 175.661 177.300 -0.270 0.000 1.244 131 P CA -0.585 62.353 63.100 -0.270 0.000 0.801 131 P CB 1.261 32.821 31.700 -0.234 0.000 1.006 132 Q N 1.053 120.619 119.800 -0.389 0.000 2.360 132 Q HA 0.396 4.736 4.340 -0.000 0.000 0.254 132 Q C -0.994 174.960 176.000 -0.078 0.000 0.975 132 Q CA -0.034 55.646 55.803 -0.206 0.000 0.912 132 Q CB -0.002 28.488 28.738 -0.413 0.000 1.212 132 Q HN 0.357 nan 8.270 nan 0.000 0.452 133 L N 6.230 127.472 121.223 0.032 0.000 2.435 133 L HA 0.432 4.772 4.340 -0.000 0.000 0.253 133 L C -0.916 176.101 176.870 0.244 0.000 1.087 133 L CA -0.254 54.643 54.840 0.095 0.000 0.950 133 L CB 0.141 42.104 42.059 -0.160 0.000 1.304 133 L HN 0.463 nan 8.230 nan 0.000 0.453 134 L N 1.518 122.928 121.223 0.312 0.000 2.332 134 L HA 0.630 4.969 4.340 -0.000 0.000 0.269 134 L C -0.320 176.579 176.870 0.047 0.000 1.016 134 L CA -0.669 54.317 54.840 0.244 0.000 0.809 134 L CB 1.911 44.151 42.059 0.302 0.000 1.280 134 L HN 0.387 nan 8.230 nan 0.000 0.447 135 N N 0.522 119.224 118.700 0.004 0.000 2.331 135 N HA 0.347 5.087 4.740 -0.000 0.000 0.280 135 N C -1.745 173.697 175.510 -0.113 0.000 1.155 135 N CA -0.623 52.279 53.050 -0.245 0.000 0.822 135 N CB 2.315 40.651 38.487 -0.251 0.000 1.619 135 N HN 0.625 nan 8.380 nan 0.000 0.476 136 Q N 2.212 121.857 119.800 -0.259 0.000 2.323 136 Q HA 0.435 4.775 4.340 -0.000 0.000 0.271 136 Q C -1.716 174.179 176.000 -0.175 0.000 1.048 136 Q CA -0.648 55.115 55.803 -0.067 0.000 0.792 136 Q CB 1.245 29.992 28.738 0.015 0.000 1.280 136 Q HN 0.626 nan 8.270 nan 0.000 0.441 137 W N 3.027 124.432 121.300 0.176 0.000 2.433 137 W HA 0.740 5.400 4.660 -0.000 0.000 0.315 137 W C 0.579 177.281 176.519 0.305 0.000 1.087 137 W CA 0.154 57.630 57.345 0.217 0.000 1.205 137 W CB 1.993 31.568 29.460 0.191 0.000 1.288 137 W HN 0.888 nan 8.180 nan 0.000 0.504 138 G N 2.224 111.383 108.800 0.599 0.000 2.356 138 G HA2 0.250 4.210 3.960 -0.000 0.000 0.281 138 G HA3 0.250 4.210 3.960 -0.000 0.000 0.281 138 G C -1.541 173.594 174.900 0.392 0.000 1.246 138 G CA -0.991 44.401 45.100 0.488 0.000 0.889 138 G HN 0.479 nan 8.290 nan 0.000 0.486 139 N N -0.910 117.888 118.700 0.164 0.000 2.328 139 N HA 0.775 5.515 4.740 -0.000 0.000 0.299 139 N C -0.402 174.912 175.510 -0.326 0.000 1.179 139 N CA -0.236 52.710 53.050 -0.173 0.000 0.793 139 N CB 2.060 40.447 38.487 -0.166 0.000 1.366 139 N HN 1.520 nan 8.380 nan 0.000 0.493 140 V N -3.289 116.163 119.914 -0.769 0.000 3.181 140 V HA 0.822 4.942 4.120 -0.000 0.000 0.308 140 V C -1.010 174.637 176.094 -0.746 0.000 1.214 140 V CA -0.901 60.963 62.300 -0.727 0.000 1.053 140 V CB 1.664 32.891 31.823 -0.994 0.000 1.069 140 V HN 0.433 nan 8.190 nan 0.000 0.441 141 V N 1.682 121.344 119.914 -0.421 0.000 2.577 141 V HA 0.667 4.787 4.120 -0.000 0.000 0.303 141 V C -0.410 175.647 176.094 -0.061 0.000 1.042 141 V CA -0.526 61.646 62.300 -0.213 0.000 0.872 141 V CB 1.929 33.738 31.823 -0.024 0.000 0.998 141 V HN 0.959 nan 8.190 nan 0.000 0.423 142 R N 3.890 124.418 120.500 0.046 0.000 2.545 142 R HA 0.215 4.554 4.340 -0.000 0.000 0.289 142 R C -0.656 175.763 176.300 0.198 0.000 1.327 142 R CA -0.495 55.696 56.100 0.152 0.000 1.040 142 R CB 1.449 31.862 30.300 0.188 0.000 1.176 142 R HN 0.797 nan 8.270 nan 0.000 0.518 143 W N 3.124 124.448 121.300 0.039 0.000 2.484 143 W HA -0.119 4.541 4.660 -0.000 0.000 0.337 143 W C -0.100 176.457 176.519 0.063 0.000 1.214 143 W CA 1.226 58.599 57.345 0.047 0.000 1.296 143 W CB 0.661 30.145 29.460 0.039 0.000 1.174 143 W HN 0.418 nan 8.180 nan 0.000 0.564 144 E N 3.978 123.895 120.200 -0.472 0.000 2.272 144 E HA 0.213 4.563 4.350 -0.000 0.000 0.269 144 E C 0.675 177.073 176.600 -0.337 0.000 0.877 144 E CA -0.504 55.743 56.400 -0.254 0.000 0.755 144 E CB 1.524 31.123 29.700 -0.169 0.000 1.192 144 E HN 0.237 nan 8.360 nan 0.000 0.422 145 M N 1.357 120.897 119.600 -0.099 0.000 2.412 145 M HA 0.221 4.701 4.480 -0.000 0.000 0.263 145 M C 0.563 176.840 176.300 -0.039 0.000 1.122 145 M CA 0.824 56.103 55.300 -0.035 0.000 1.179 145 M CB -0.367 32.267 32.600 0.057 0.000 1.335 145 M HN 0.298 nan 8.290 nan 0.000 0.465 146 R N 1.094 121.583 120.500 -0.018 0.000 2.229 146 R HA 0.210 4.550 4.340 -0.000 0.000 0.332 146 R C -0.457 175.844 176.300 0.001 0.000 0.989 146 R CA -0.018 56.081 56.100 -0.002 0.000 0.842 146 R CB 0.897 31.208 30.300 0.018 0.000 1.119 146 R HN 0.036 nan 8.270 nan 0.000 0.456 147 T N 3.606 118.168 114.554 0.013 0.000 2.729 147 T HA 0.232 4.582 4.350 -0.000 0.000 0.296 147 T C -0.344 174.432 174.700 0.127 0.000 0.928 147 T CA -0.437 61.696 62.100 0.054 0.000 1.045 147 T CB 0.239 69.157 68.868 0.082 0.000 0.902 147 T HN 0.540 nan 8.240 nan 0.000 0.500 148 R N 5.458 126.015 120.500 0.094 0.000 2.422 148 R HA 0.398 4.737 4.340 -0.000 0.000 0.307 148 R C -2.811 173.528 176.300 0.065 0.000 1.004 148 R CA -2.158 54.017 56.100 0.126 0.000 0.882 148 R CB 1.187 31.554 30.300 0.112 0.000 1.164 148 R HN 0.391 nan 8.270 nan 0.000 0.489 149 P HA -0.127 nan 4.420 nan 0.000 0.255 149 P C -0.627 176.542 177.300 -0.218 0.000 1.141 149 P CA 1.034 63.903 63.100 -0.384 0.000 0.767 149 P CB -0.060 31.352 31.700 -0.479 0.000 0.726 150 F N -0.310 119.489 119.950 -0.251 0.000 2.666 150 F HA -0.307 4.220 4.527 -0.000 0.000 0.458 150 F C 1.203 177.029 175.800 0.042 0.000 0.561 150 F CA 0.583 58.425 58.000 -0.265 0.000 1.129 150 F CB -1.738 37.103 39.000 -0.265 0.000 1.751 150 F HN 0.287 nan 8.300 nan 0.000 0.275 151 L N -1.451 119.866 121.223 0.156 0.000 2.515 151 L HA 0.238 4.578 4.340 -0.000 0.000 0.202 151 L C 0.880 177.785 176.870 0.057 0.000 1.056 151 L CA 0.514 55.400 54.840 0.077 0.000 0.847 151 L CB 0.245 42.291 42.059 -0.022 0.000 1.131 151 L HN -0.052 nan 8.230 nan 0.000 0.484 152 R N 0.881 121.417 120.500 0.059 0.000 2.545 152 R HA 0.343 4.683 4.340 -0.000 0.000 0.289 152 R C -1.238 175.083 176.300 0.036 0.000 1.327 152 R CA -0.089 56.034 56.100 0.039 0.000 1.040 152 R CB 1.573 31.898 30.300 0.042 0.000 1.176 152 R HN 0.079 nan 8.270 nan 0.000 0.518 153 T N -2.281 112.312 114.554 0.065 0.000 2.912 153 T HA 0.235 4.585 4.350 -0.000 0.000 0.299 153 T C 0.919 175.651 174.700 0.053 0.000 1.052 153 T CA -0.799 61.343 62.100 0.071 0.000 0.996 153 T CB 1.998 70.996 68.868 0.216 0.000 1.070 153 T HN 0.124 nan 8.240 nan 0.000 0.465 154 S N 0.802 116.434 115.700 -0.114 0.000 2.359 154 S HA -0.073 4.397 4.470 -0.000 0.000 0.224 154 S C 0.763 175.345 174.600 -0.031 0.000 1.035 154 S CA 1.166 59.245 58.200 -0.202 0.000 1.018 154 S CB -0.242 62.595 63.200 -0.606 0.000 0.876 154 S HN 0.848 nan 8.310 nan 0.000 0.448 155 E N -0.097 120.089 120.200 -0.024 0.000 2.207 155 E HA 0.522 4.871 4.350 -0.000 0.000 0.270 155 E C -1.250 175.305 176.600 -0.075 0.000 0.927 155 E CA -0.795 55.537 56.400 -0.113 0.000 0.799 155 E CB 1.116 30.766 29.700 -0.083 0.000 1.172 155 E HN 0.266 nan 8.360 nan 0.000 0.404 156 F N 1.167 120.793 119.950 -0.541 0.000 2.678 156 F HA 0.457 4.984 4.527 -0.000 0.000 0.308 156 F C -1.964 173.077 175.800 -1.265 0.000 1.118 156 F CA -1.212 56.024 58.000 -1.272 0.000 0.959 156 F CB 0.693 39.033 39.000 -1.100 0.000 1.305 156 F HN 0.259 nan 8.300 nan 0.000 0.443 157 L N 3.050 123.333 121.223 -1.566 0.000 2.399 157 L HA 0.515 4.855 4.340 -0.000 0.000 0.266 157 L C -0.673 176.139 176.870 -0.097 0.000 1.114 157 L CA -0.385 54.114 54.840 -0.568 0.000 0.804 157 L CB 1.316 43.172 42.059 -0.339 0.000 1.146 157 L HN 0.901 nan 8.230 nan 0.000 0.451 158 W N 1.906 123.322 121.300 0.194 0.000 2.760 158 W HA 0.363 5.023 4.660 -0.000 0.000 0.430 158 W C -2.178 174.604 176.519 0.438 0.000 1.072 158 W CA -0.890 56.725 57.345 0.451 0.000 1.181 158 W CB 1.035 30.666 29.460 0.285 0.000 1.466 158 W HN 0.479 nan 8.180 nan 0.000 0.597 159 Q N 2.243 122.015 119.800 -0.046 0.000 2.304 159 Q HA 0.421 4.760 4.340 -0.000 0.000 0.270 159 Q C -1.289 174.021 176.000 -1.149 0.000 1.035 159 Q CA -0.193 55.145 55.803 -0.775 0.000 0.781 159 Q CB 2.324 30.337 28.738 -1.208 0.000 1.261 159 Q HN 0.554 nan 8.270 nan 0.000 0.444 160 E N 2.175 121.620 120.200 -1.257 0.000 2.216 160 E HA 0.710 5.060 4.350 -0.000 0.000 0.260 160 E C -0.642 175.292 176.600 -1.110 0.000 0.880 160 E CA -1.126 54.479 56.400 -1.325 0.000 0.765 160 E CB 1.479 30.345 29.700 -1.390 0.000 1.174 160 E HN 0.642 nan 8.360 nan 0.000 0.417 161 G N 2.970 110.792 108.800 -1.630 0.000 2.371 161 G HA2 0.419 4.379 3.960 -0.000 0.000 0.326 161 G HA3 0.419 4.379 3.960 -0.000 0.000 0.326 161 G C -0.822 172.878 174.900 -2.000 0.000 1.127 161 G CA -0.399 43.361 45.100 -2.234 0.000 0.885 161 G HN 0.594 nan 8.290 nan 0.000 0.477 162 H N 0.241 118.768 119.070 -0.905 0.000 2.759 162 H HA 0.528 5.084 4.556 -0.000 0.000 0.354 162 H C -0.533 174.884 175.328 0.149 0.000 1.074 162 H CA -0.467 55.338 56.048 -0.405 0.000 1.226 162 H CB 2.432 31.864 29.762 -0.551 0.000 1.648 162 H HN 0.729 nan 8.280 nan 0.000 0.529 163 T N -0.175 114.650 114.554 0.451 0.000 2.903 163 T HA 0.787 5.137 4.350 -0.000 0.000 0.299 163 T C -0.746 173.919 174.700 -0.057 0.000 1.093 163 T CA -0.983 61.299 62.100 0.304 0.000 1.002 163 T CB 2.249 71.323 68.868 0.344 0.000 1.127 163 T HN 0.668 nan 8.240 nan 0.000 0.488 164 A N 2.365 124.789 122.820 -0.660 0.000 2.355 164 A HA 0.804 5.124 4.320 -0.000 0.000 0.317 164 A C -0.742 176.397 177.584 -0.742 0.000 1.094 164 A CA -0.765 50.807 52.037 -0.775 0.000 0.764 164 A CB 0.948 19.121 19.000 -1.378 0.000 1.230 164 A HN 0.960 nan 8.150 nan 0.000 0.448 165 H N 0.713 119.678 119.070 -0.176 0.000 2.894 165 H HA 0.581 5.137 4.556 -0.000 0.000 0.368 165 H C 0.895 176.136 175.328 -0.145 0.000 1.181 165 H CA -0.077 55.897 56.048 -0.124 0.000 1.146 165 H CB 2.405 32.163 29.762 -0.007 0.000 1.839 165 H HN 0.705 nan 8.280 nan 0.000 0.557 166 A N 1.320 124.106 122.820 -0.057 0.000 1.855 166 A HA -0.027 4.293 4.320 -0.000 0.000 0.213 166 A C 1.143 178.885 177.584 0.263 0.000 1.195 166 A CA 1.546 53.531 52.037 -0.086 0.000 0.610 166 A CB -0.434 18.563 19.000 -0.006 0.000 0.837 166 A HN 0.687 nan 8.150 nan 0.000 0.444 167 T N -3.903 110.739 114.554 0.146 0.000 2.943 167 T HA 0.462 4.812 4.350 -0.000 0.000 0.284 167 T C 0.814 175.361 174.700 -0.255 0.000 1.015 167 T CA -0.286 61.822 62.100 0.014 0.000 1.042 167 T CB 1.854 70.718 68.868 -0.007 0.000 1.055 167 T HN 0.336 nan 8.240 nan 0.000 0.500 168 R N 0.396 120.531 120.500 -0.608 0.000 2.066 168 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 168 R C 1.853 177.974 176.300 -0.298 0.000 1.131 168 R CA 1.673 57.356 56.100 -0.694 0.000 0.955 168 R CB -0.418 29.599 30.300 -0.472 0.000 0.851 168 R HN 0.787 nan 8.270 nan 0.000 0.432 169 E N 0.815 120.883 120.200 -0.220 0.000 2.049 169 E HA -0.249 4.101 4.350 -0.000 0.000 0.198 169 E C 1.796 178.282 176.600 -0.190 0.000 1.007 169 E CA 1.905 58.200 56.400 -0.175 0.000 0.809 169 E CB -0.240 29.390 29.700 -0.116 0.000 0.749 169 E HN 0.468 nan 8.360 nan 0.000 0.450 170 E N -0.124 119.970 120.200 -0.177 0.000 2.097 170 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 170 E C 1.950 178.251 176.600 -0.499 0.000 1.000 170 E CA 1.150 57.408 56.400 -0.237 0.000 0.804 170 E CB -0.125 29.508 29.700 -0.112 0.000 0.740 170 E HN 0.281 nan 8.360 nan 0.000 0.454 171 A N 1.112 123.662 122.820 -0.451 0.000 1.873 171 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 171 A C 1.929 179.407 177.584 -0.176 0.000 1.186 171 A CA 1.593 53.401 52.037 -0.382 0.000 0.616 171 A CB -0.501 18.610 19.000 0.185 0.000 0.823 171 A HN 0.302 nan 8.150 nan 0.000 0.442 172 E N -0.114 119.949 120.200 -0.227 0.000 2.085 172 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 172 E C 1.968 178.487 176.600 -0.135 0.000 0.994 172 E CA 1.369 57.639 56.400 -0.216 0.000 0.801 172 E CB -0.252 29.267 29.700 -0.300 0.000 0.743 172 E HN 0.734 nan 8.360 nan 0.000 0.453 173 E N 0.709 120.806 120.200 -0.171 0.000 2.077 173 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 173 E C 2.093 178.605 176.600 -0.146 0.000 0.989 173 E CA 1.141 57.452 56.400 -0.149 0.000 0.800 173 E CB -0.041 29.573 29.700 -0.143 0.000 0.746 173 E HN 0.123 nan 8.360 nan 0.000 0.452 174 E N 1.006 121.101 120.200 -0.175 0.000 2.085 174 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 174 E C 2.007 178.514 176.600 -0.155 0.000 0.994 174 E CA 1.103 57.422 56.400 -0.136 0.000 0.801 174 E CB -0.204 29.450 29.700 -0.076 0.000 0.743 174 E HN 0.028 nan 8.360 nan 0.000 0.453 175 V N 1.045 120.919 119.914 -0.066 0.000 2.287 175 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 175 V C 2.527 178.575 176.094 -0.076 0.000 1.053 175 V CA 2.176 64.466 62.300 -0.016 0.000 1.027 175 V CB -0.531 31.377 31.823 0.142 0.000 0.646 175 V HN 0.253 nan 8.190 nan 0.000 0.447 176 R N -0.351 120.103 120.500 -0.077 0.000 2.115 176 R HA -0.053 4.286 4.340 -0.000 0.000 0.226 176 R C 2.341 178.554 176.300 -0.145 0.000 1.100 176 R CA 1.169 57.210 56.100 -0.097 0.000 0.980 176 R CB -0.749 29.462 30.300 -0.148 0.000 0.875 176 R HN 0.509 nan 8.270 nan 0.000 0.445 177 R N 0.297 120.685 120.500 -0.187 0.000 2.091 177 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 177 R C 1.837 177.938 176.300 -0.332 0.000 1.136 177 R CA 1.553 57.526 56.100 -0.211 0.000 0.959 177 R CB -0.004 30.184 30.300 -0.187 0.000 0.856 177 R HN -0.003 nan 8.270 nan 0.000 0.437 178 M N 0.289 119.562 119.600 -0.544 0.000 2.200 178 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 178 M C 2.202 178.074 176.300 -0.714 0.000 1.066 178 M CA 0.960 55.722 55.300 -0.897 0.000 1.127 178 M CB -1.153 30.484 32.600 -1.604 0.000 1.379 178 M HN 0.211 nan 8.290 nan 0.000 0.420 179 L N 0.151 121.171 121.223 -0.339 0.000 2.083 179 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 179 L C 2.396 179.269 176.870 0.005 0.000 1.083 179 L CA 1.632 56.453 54.840 -0.031 0.000 0.752 179 L CB -0.724 41.405 42.059 0.116 0.000 0.899 179 L HN 0.201 nan 8.230 nan 0.000 0.433 180 S N -0.590 115.074 115.700 -0.059 0.000 2.382 180 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 180 S C 1.945 176.530 174.600 -0.025 0.000 1.027 180 S CA 1.463 59.657 58.200 -0.011 0.000 0.991 180 S CB -0.349 62.829 63.200 -0.036 0.000 0.823 180 S HN 0.452 nan 8.310 nan 0.000 0.469 181 I N 0.060 120.546 120.570 -0.140 0.000 2.252 181 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 181 I C 1.866 177.978 176.117 -0.009 0.000 1.102 181 I CA 1.368 62.592 61.300 -0.127 0.000 1.385 181 I CB -0.373 37.488 38.000 -0.232 0.000 1.064 181 I HN 0.375 nan 8.210 nan 0.000 0.414 182 Y N 0.501 120.805 120.300 0.007 0.000 2.181 182 Y HA -0.244 4.305 4.550 -0.000 0.000 0.288 182 Y C 2.721 178.679 175.900 0.096 0.000 1.146 182 Y CA 0.534 58.656 58.100 0.036 0.000 1.164 182 Y CB -0.293 38.209 38.460 0.070 0.000 0.982 182 Y HN 0.158 nan 8.280 nan 0.000 0.515 183 A N 0.291 123.268 122.820 0.262 0.000 1.969 183 A HA -0.199 4.120 4.320 -0.000 0.000 0.218 183 A C 2.153 179.860 177.584 0.205 0.000 1.169 183 A CA 1.465 53.639 52.037 0.228 0.000 0.635 183 A CB -0.604 18.505 19.000 0.183 0.000 0.810 183 A HN 0.390 nan 8.150 nan 0.000 0.445 184 R N -0.954 119.642 120.500 0.160 0.000 2.075 184 R HA -0.086 4.253 4.340 -0.000 0.000 0.232 184 R C 2.082 178.532 176.300 0.250 0.000 1.126 184 R CA 1.466 57.664 56.100 0.164 0.000 0.963 184 R CB -0.371 29.997 30.300 0.114 0.000 0.858 184 R HN 0.474 nan 8.270 nan 0.000 0.435 185 L N 0.623 121.952 121.223 0.175 0.000 2.012 185 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 185 L C 2.238 179.339 176.870 0.385 0.000 1.073 185 L CA 2.200 57.123 54.840 0.138 0.000 0.748 185 L CB -0.585 41.401 42.059 -0.121 0.000 0.891 185 L HN 0.200 nan 8.230 nan 0.000 0.431 186 A N -0.340 122.742 122.820 0.437 0.000 1.865 186 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 186 A C 2.400 180.198 177.584 0.357 0.000 1.191 186 A CA 2.083 54.435 52.037 0.525 0.000 0.623 186 A CB -0.529 18.735 19.000 0.439 0.000 0.826 186 A HN 0.528 nan 8.150 nan 0.000 0.444 187 R N -0.665 119.984 120.500 0.249 0.000 2.052 187 R HA -0.013 4.327 4.340 -0.000 0.000 0.226 187 R C 2.199 178.488 176.300 -0.018 0.000 1.145 187 R CA 1.448 57.578 56.100 0.049 0.000 0.952 187 R CB -0.377 29.920 30.300 -0.006 0.000 0.847 187 R HN 0.616 nan 8.270 nan 0.000 0.431 188 E N -0.661 119.583 120.200 0.074 0.000 2.208 188 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 188 E C 1.165 177.657 176.600 -0.180 0.000 0.988 188 E CA 1.057 57.428 56.400 -0.048 0.000 0.828 188 E CB 0.196 29.835 29.700 -0.103 0.000 0.763 188 E HN 0.392 nan 8.360 nan 0.000 0.478 189 Y N -1.103 119.270 120.300 0.121 0.000 2.559 189 Y HA 0.281 4.831 4.550 -0.000 0.000 0.279 189 Y C 1.995 178.040 175.900 0.241 0.000 1.117 189 Y CA 0.553 58.725 58.100 0.120 0.000 1.263 189 Y CB 0.274 38.775 38.460 0.068 0.000 1.230 189 Y HN -0.026 nan 8.280 nan 0.000 0.528 190 A N -0.134 122.964 122.820 0.463 0.000 2.252 190 A HA 0.572 4.892 4.320 -0.000 0.000 0.213 190 A C 1.531 179.341 177.584 0.377 0.000 1.188 190 A CA 0.479 52.762 52.037 0.411 0.000 0.863 190 A CB -0.621 18.642 19.000 0.439 0.000 0.893 190 A HN 0.537 nan 8.150 nan 0.000 0.495 191 A N -0.776 122.230 122.820 0.311 0.000 2.872 191 A HA -0.169 4.151 4.320 -0.000 0.000 0.273 191 A C 0.126 178.006 177.584 0.493 0.000 1.442 191 A CA 1.103 53.267 52.037 0.213 0.000 0.801 191 A CB -2.570 16.385 19.000 -0.074 0.000 1.031 191 A HN 0.565 nan 8.150 nan 0.000 0.582 192 I N 1.558 122.358 120.570 0.383 0.000 2.330 192 I HA 0.295 4.464 4.170 -0.000 0.000 0.286 192 I C -1.868 174.443 176.117 0.324 0.000 1.025 192 I CA -2.245 59.202 61.300 0.245 0.000 1.197 192 I CB 1.449 39.486 38.000 0.062 0.000 1.358 192 I HN 0.157 nan 8.210 nan 0.000 0.467 193 P HA 0.189 nan 4.420 nan 0.000 0.271 193 P C -0.703 176.723 177.300 0.209 0.000 1.218 193 P CA 0.000 63.282 63.100 0.303 0.000 0.780 193 P CB 1.699 33.434 31.700 0.058 0.000 0.901 194 V N -0.078 119.960 119.914 0.206 0.000 3.181 194 V HA 0.626 4.746 4.120 -0.000 0.000 0.308 194 V C -0.562 175.596 176.094 0.106 0.000 1.214 194 V CA -1.196 61.201 62.300 0.162 0.000 1.053 194 V CB 2.020 33.946 31.823 0.172 0.000 1.069 194 V HN 0.306 nan 8.190 nan 0.000 0.441 195 I N 1.182 121.777 120.570 0.041 0.000 2.406 195 I HA 0.499 4.669 4.170 -0.000 0.000 0.290 195 I C -0.238 175.824 176.117 -0.091 0.000 0.999 195 I CA -0.326 60.941 61.300 -0.057 0.000 1.124 195 I CB 1.791 39.676 38.000 -0.191 0.000 1.289 195 I HN 0.742 nan 8.210 nan 0.000 0.441 196 E N 4.865 125.004 120.200 -0.101 0.000 2.197 196 E HA 0.698 5.048 4.350 -0.000 0.000 0.281 196 E C 0.044 176.133 176.600 -0.851 0.000 0.995 196 E CA -0.518 55.765 56.400 -0.194 0.000 0.808 196 E CB 2.064 31.855 29.700 0.151 0.000 1.093 196 E HN 0.834 nan 8.360 nan 0.000 0.394 197 G N 1.772 109.887 108.800 -1.142 0.000 2.428 197 G HA2 0.274 4.234 3.960 -0.000 0.000 0.304 197 G HA3 0.274 4.234 3.960 -0.000 0.000 0.304 197 G C -1.644 172.805 174.900 -0.752 0.000 1.303 197 G CA -0.864 43.270 45.100 -1.609 0.000 0.825 197 G HN 0.218 nan 8.290 nan 0.000 0.484 198 L N 0.954 121.922 121.223 -0.426 0.000 2.350 198 L HA 0.499 4.839 4.340 -0.000 0.000 0.275 198 L C 0.472 177.273 176.870 -0.116 0.000 1.099 198 L CA -0.498 54.275 54.840 -0.112 0.000 0.808 198 L CB 1.354 43.388 42.059 -0.043 0.000 1.149 198 L HN 0.420 nan 8.230 nan 0.000 0.442 199 K N 0.985 121.388 120.400 0.005 0.000 2.098 199 K HA 0.337 4.657 4.320 -0.000 0.000 0.257 199 K C 0.174 176.779 176.600 0.008 0.000 0.999 199 K CA -0.367 55.923 56.287 0.005 0.000 0.924 199 K CB 1.236 33.802 32.500 0.109 0.000 1.028 199 K HN 0.747 nan 8.250 nan 0.000 0.466 200 T N -1.704 112.839 114.554 -0.019 0.000 2.849 200 T HA 0.102 4.452 4.350 -0.000 0.000 0.284 200 T C 1.283 176.055 174.700 0.119 0.000 1.004 200 T CA -0.535 61.588 62.100 0.038 0.000 1.021 200 T CB 0.998 69.883 68.868 0.029 0.000 1.013 200 T HN 0.442 nan 8.240 nan 0.000 0.527 201 E N 0.665 120.964 120.200 0.166 0.000 2.114 201 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 201 E C 2.052 178.730 176.600 0.130 0.000 1.008 201 E CA 1.884 58.379 56.400 0.158 0.000 0.810 201 E CB -0.254 29.541 29.700 0.158 0.000 0.739 201 E HN 0.845 nan 8.360 nan 0.000 0.456 202 K N 0.034 120.507 120.400 0.122 0.000 2.148 202 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 202 K C 1.230 177.886 176.600 0.094 0.000 1.050 202 K CA 1.347 57.695 56.287 0.101 0.000 0.942 202 K CB 0.113 32.675 32.500 0.103 0.000 0.724 202 K HN -0.009 nan 8.250 nan 0.000 0.446 203 E N 1.383 121.639 120.200 0.093 0.000 2.472 203 E HA -0.015 4.335 4.350 -0.000 0.000 0.196 203 E C 0.066 176.754 176.600 0.147 0.000 1.033 203 E CA 0.180 56.639 56.400 0.097 0.000 0.886 203 E CB 0.428 30.160 29.700 0.054 0.000 0.944 203 E HN 0.463 nan 8.360 nan 0.000 0.492 204 K N 0.138 120.639 120.400 0.168 0.000 2.149 204 K HA 0.062 4.382 4.320 -0.000 0.000 0.245 204 K C -0.080 176.672 176.600 0.252 0.000 1.024 204 K CA -0.539 55.893 56.287 0.242 0.000 0.899 204 K CB 0.528 33.179 32.500 0.252 0.000 1.038 204 K HN -0.230 nan 8.250 nan 0.000 0.496 205 F N 1.309 121.325 119.950 0.109 0.000 2.467 205 F HA 0.285 4.812 4.527 -0.000 0.000 0.362 205 F C -0.073 175.727 175.800 0.001 0.000 1.090 205 F CA -0.422 57.559 58.000 -0.032 0.000 1.202 205 F CB 0.388 39.100 39.000 -0.481 0.000 1.113 205 F HN 0.710 nan 8.300 nan 0.000 0.541 206 A N 4.862 127.341 122.820 -0.568 0.000 2.561 206 A HA 0.412 4.731 4.320 -0.000 0.000 0.251 206 A C 1.278 178.587 177.584 -0.459 0.000 1.062 206 A CA 0.778 52.556 52.037 -0.431 0.000 0.761 206 A CB -1.083 17.690 19.000 -0.379 0.000 0.986 206 A HN 1.978 nan 8.150 nan 0.000 0.510 207 G N 1.142 109.849 108.800 -0.155 0.000 2.254 207 G HA2 0.170 4.130 3.960 -0.000 0.000 0.225 207 G HA3 0.170 4.130 3.960 -0.000 0.000 0.225 207 G C 0.611 175.593 174.900 0.136 0.000 1.003 207 G CA 0.313 45.389 45.100 -0.041 0.000 0.622 207 G HN 2.160 nan 8.290 nan 0.000 0.507 208 A N 0.193 123.138 122.820 0.209 0.000 2.322 208 A HA 0.794 5.114 4.320 -0.000 0.000 0.269 208 A C 1.750 179.425 177.584 0.151 0.000 1.094 208 A CA 0.783 52.964 52.037 0.239 0.000 0.807 208 A CB 1.269 20.486 19.000 0.363 0.000 1.047 208 A HN 1.625 nan 8.150 nan 0.000 0.487 209 V N 0.668 120.635 119.914 0.089 0.000 2.346 209 V HA 0.192 4.311 4.120 -0.000 0.000 0.244 209 V C 0.425 176.718 176.094 0.331 0.000 1.037 209 V CA 1.789 64.188 62.300 0.166 0.000 1.029 209 V CB -0.917 31.013 31.823 0.179 0.000 0.663 209 V HN 1.225 nan 8.190 nan 0.000 0.454 210 Y N -1.354 119.143 120.300 0.329 0.000 2.588 210 Y HA 0.831 5.381 4.550 -0.000 0.000 0.343 210 Y C -0.786 175.333 175.900 0.366 0.000 1.065 210 Y CA -1.268 57.022 58.100 0.317 0.000 1.038 210 Y CB 1.107 39.743 38.460 0.293 0.000 1.297 210 Y HN -0.160 nan 8.280 nan 0.000 0.467 211 T N 2.516 117.445 114.554 0.626 0.000 2.809 211 T HA 0.513 4.863 4.350 -0.000 0.000 0.284 211 T C -0.468 174.474 174.700 0.404 0.000 0.992 211 T CA -0.596 61.837 62.100 0.555 0.000 0.957 211 T CB 0.947 70.144 68.868 0.549 0.000 0.942 211 T HN 0.938 nan 8.240 nan 0.000 0.439 212 T N 0.439 115.203 114.554 0.350 0.000 2.943 212 T HA 0.822 5.172 4.350 -0.000 0.000 0.284 212 T C -0.057 174.733 174.700 0.150 0.000 1.015 212 T CA -0.683 61.579 62.100 0.270 0.000 1.042 212 T CB 1.922 71.034 68.868 0.407 0.000 1.055 212 T HN 0.547 nan 8.240 nan 0.000 0.500 213 T N 0.416 115.013 114.554 0.070 0.000 2.802 213 T HA 0.576 4.926 4.350 -0.000 0.000 0.311 213 T C -1.605 173.114 174.700 0.031 0.000 1.405 213 T CA -1.016 61.121 62.100 0.063 0.000 1.016 213 T CB 1.042 69.940 68.868 0.050 0.000 1.352 213 T HN 0.958 nan 8.240 nan 0.000 0.498 214 I N 1.024 121.643 120.570 0.082 0.000 2.410 214 I HA 0.701 4.871 4.170 -0.000 0.000 0.286 214 I C -0.390 175.781 176.117 0.091 0.000 1.009 214 I CA -0.770 60.584 61.300 0.090 0.000 1.111 214 I CB 1.712 39.812 38.000 0.167 0.000 1.262 214 I HN 0.354 nan 8.210 nan 0.000 0.443 215 E N 5.425 125.664 120.200 0.066 0.000 2.166 215 E HA 0.701 5.051 4.350 -0.000 0.000 0.275 215 E C -0.630 176.086 176.600 0.194 0.000 0.941 215 E CA -0.669 55.802 56.400 0.119 0.000 0.784 215 E CB 2.578 32.330 29.700 0.087 0.000 1.115 215 E HN 0.831 nan 8.360 nan 0.000 0.399 216 A N 2.746 125.681 122.820 0.192 0.000 2.330 216 A HA 0.637 4.957 4.320 -0.000 0.000 0.329 216 A C -1.073 176.593 177.584 0.137 0.000 1.135 216 A CA -0.699 51.439 52.037 0.168 0.000 0.817 216 A CB 1.022 20.056 19.000 0.058 0.000 1.269 216 A HN 0.435 nan 8.150 nan 0.000 0.469 217 L N 2.036 123.285 121.223 0.044 0.000 2.313 217 L HA 0.556 4.896 4.340 -0.000 0.000 0.283 217 L C -0.343 176.434 176.870 -0.156 0.000 1.013 217 L CA -0.364 54.380 54.840 -0.160 0.000 0.816 217 L CB 1.242 43.130 42.059 -0.285 0.000 1.236 217 L HN 0.685 nan 8.230 nan 0.000 0.419 218 M N 3.265 122.765 119.600 -0.167 0.000 2.283 218 M HA 0.261 4.741 4.480 -0.000 0.000 0.314 218 M C 1.181 177.226 176.300 -0.426 0.000 1.153 218 M CA -0.114 55.053 55.300 -0.222 0.000 1.084 218 M CB 0.588 33.148 32.600 -0.066 0.000 1.468 218 M HN 0.507 nan 8.290 nan 0.000 0.474 219 K N 0.710 120.774 120.400 -0.560 0.000 2.442 219 K HA -0.169 4.151 4.320 -0.000 0.000 0.198 219 K C 0.625 176.799 176.600 -0.711 0.000 1.044 219 K CA 1.296 57.080 56.287 -0.838 0.000 0.948 219 K CB -0.097 32.078 32.500 -0.541 0.000 0.762 219 K HN 0.616 nan 8.250 nan 0.000 0.472 220 D N -1.441 118.414 120.400 -0.908 0.000 2.349 220 D HA 0.028 4.668 4.640 -0.000 0.000 0.214 220 D C 1.095 177.156 176.300 -0.398 0.000 1.063 220 D CA 0.714 54.169 54.000 -0.908 0.000 0.847 220 D CB 0.403 40.374 40.800 -1.382 0.000 0.933 220 D HN 0.193 nan 8.370 nan 0.000 0.513 221 G N 0.172 108.821 108.800 -0.253 0.000 2.217 221 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.246 221 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.246 221 G C 0.265 175.030 174.900 -0.225 0.000 0.990 221 G CA 0.117 45.106 45.100 -0.185 0.000 0.627 221 G HN 0.455 nan 8.290 nan 0.000 0.522 222 K N 0.979 121.263 120.400 -0.193 0.000 2.154 222 K HA 0.665 4.985 4.320 -0.000 0.000 0.264 222 K C 0.665 177.212 176.600 -0.088 0.000 1.008 222 K CA 0.146 56.342 56.287 -0.153 0.000 0.937 222 K CB 1.286 33.656 32.500 -0.216 0.000 1.002 222 K HN 0.478 nan 8.250 nan 0.000 0.469 223 A N 1.788 124.577 122.820 -0.051 0.000 2.264 223 A HA 0.626 4.946 4.320 -0.000 0.000 0.304 223 A C -1.172 176.505 177.584 0.154 0.000 1.100 223 A CA -0.520 51.537 52.037 0.034 0.000 0.839 223 A CB 0.608 19.711 19.000 0.171 0.000 1.121 223 A HN 0.513 nan 8.150 nan 0.000 0.496 224 L N -0.039 121.271 121.223 0.145 0.000 2.543 224 L HA 0.365 4.705 4.340 -0.000 0.000 0.265 224 L C -0.399 176.539 176.870 0.113 0.000 0.945 224 L CA -0.165 54.755 54.840 0.134 0.000 0.869 224 L CB 2.082 44.179 42.059 0.063 0.000 1.294 224 L HN 0.845 nan 8.230 nan 0.000 0.405 225 Q N 3.794 123.661 119.800 0.112 0.000 2.307 225 Q HA 0.484 4.824 4.340 -0.000 0.000 0.261 225 Q C 0.214 176.281 176.000 0.111 0.000 1.051 225 Q CA 0.557 56.425 55.803 0.108 0.000 0.911 225 Q CB 1.523 30.325 28.738 0.107 0.000 1.227 225 Q HN 0.909 nan 8.270 nan 0.000 0.418 226 A N 3.642 126.538 122.820 0.128 0.000 2.081 226 A HA 0.384 4.704 4.320 -0.000 0.000 0.214 226 A C 0.685 178.375 177.584 0.177 0.000 1.158 226 A CA 0.859 53.013 52.037 0.195 0.000 0.724 226 A CB 0.351 19.489 19.000 0.229 0.000 0.826 226 A HN 0.786 nan 8.150 nan 0.000 0.463 227 G N -2.579 106.260 108.800 0.066 0.000 2.632 227 G HA2 0.484 4.444 3.960 -0.000 0.000 0.292 227 G HA3 0.484 4.444 3.960 -0.000 0.000 0.292 227 G C -1.215 173.684 174.900 -0.001 0.000 1.465 227 G CA 0.331 45.343 45.100 -0.147 0.000 0.824 227 G HN 0.307 nan 8.290 nan 0.000 0.509 228 T N -1.107 113.439 114.554 -0.013 0.000 2.923 228 T HA 0.712 5.062 4.350 -0.000 0.000 0.311 228 T C -1.267 173.421 174.700 -0.020 0.000 1.183 228 T CA -0.278 61.831 62.100 0.015 0.000 1.020 228 T CB 1.795 70.654 68.868 -0.016 0.000 1.165 228 T HN 1.246 nan 8.240 nan 0.000 0.482 229 S N 3.068 118.683 115.700 -0.142 0.000 2.736 229 S HA 0.511 4.981 4.470 -0.000 0.000 0.285 229 S C -1.381 173.117 174.600 -0.170 0.000 1.163 229 S CA -0.727 57.407 58.200 -0.109 0.000 1.025 229 S CB 0.301 63.533 63.200 0.054 0.000 1.030 229 S HN 0.724 nan 8.310 nan 0.000 0.486 230 H N 3.173 122.338 119.070 0.159 0.000 2.472 230 H HA 0.285 4.841 4.556 -0.000 0.000 0.338 230 H C -1.129 174.273 175.328 0.123 0.000 1.133 230 H CA -0.494 55.644 56.048 0.150 0.000 1.216 230 H CB 1.051 30.864 29.762 0.085 0.000 1.497 230 H HN 0.676 nan 8.280 nan 0.000 0.500 231 Y N 3.298 123.562 120.300 -0.060 0.000 2.454 231 Y HA 0.179 4.729 4.550 -0.000 0.000 0.345 231 Y C 0.203 176.066 175.900 -0.061 0.000 0.970 231 Y CA -0.807 57.142 58.100 -0.252 0.000 1.204 231 Y CB 0.039 37.906 38.460 -0.989 0.000 1.122 231 Y HN 0.537 nan 8.280 nan 0.000 0.514 232 L N 6.202 127.258 121.223 -0.279 0.000 2.612 232 L HA 0.215 4.555 4.340 -0.000 0.000 0.230 232 L C 1.711 178.359 176.870 -0.371 0.000 1.140 232 L CA 0.322 55.084 54.840 -0.132 0.000 0.896 232 L CB -0.980 41.198 42.059 0.199 0.000 1.065 232 L HN 1.017 nan 8.230 nan 0.000 0.447 233 G N 2.507 110.648 108.800 -1.099 0.000 2.652 233 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.318 233 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.318 233 G C 0.551 175.289 174.900 -0.269 0.000 1.295 233 G CA 0.794 45.471 45.100 -0.704 0.000 0.999 233 G HN 0.649 nan 8.290 nan 0.000 0.548 234 E N 1.103 121.162 120.200 -0.236 0.000 2.569 234 E HA 0.239 4.589 4.350 -0.000 0.000 0.205 234 E C 1.243 177.725 176.600 -0.197 0.000 1.006 234 E CA -0.104 56.156 56.400 -0.233 0.000 0.985 234 E CB 0.174 29.691 29.700 -0.305 0.000 1.060 234 E HN 0.362 nan 8.360 nan 0.000 0.460 235 N N 1.016 119.631 118.700 -0.142 0.000 2.084 235 N HA -0.112 4.628 4.740 -0.000 0.000 0.190 235 N C 1.115 176.471 175.510 -0.256 0.000 1.030 235 N CA 1.221 54.143 53.050 -0.213 0.000 0.849 235 N CB -0.245 38.102 38.487 -0.232 0.000 1.012 235 N HN 0.215 nan 8.380 nan 0.000 0.423 236 F N 1.083 121.031 119.950 -0.004 0.000 2.335 236 F HA 0.170 4.697 4.527 -0.000 0.000 0.296 236 F C 2.338 178.214 175.800 0.126 0.000 1.091 236 F CA 0.507 58.575 58.000 0.114 0.000 1.399 236 F CB -0.473 38.589 39.000 0.103 0.000 1.067 236 F HN -0.017 nan 8.300 nan 0.000 0.520 237 A N 0.598 123.517 122.820 0.165 0.000 1.883 237 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 237 A C 2.312 179.816 177.584 -0.134 0.000 1.186 237 A CA 1.734 53.823 52.037 0.087 0.000 0.624 237 A CB -0.637 18.383 19.000 0.034 0.000 0.822 237 A HN 0.297 nan 8.150 nan 0.000 0.444 238 R N -0.766 119.451 120.500 -0.472 0.000 2.075 238 R HA -0.015 4.324 4.340 -0.000 0.000 0.232 238 R C 2.477 178.613 176.300 -0.273 0.000 1.126 238 R CA 1.101 56.785 56.100 -0.693 0.000 0.963 238 R CB -0.453 29.442 30.300 -0.674 0.000 0.858 238 R HN 0.508 nan 8.270 nan 0.000 0.435 239 A N 0.204 122.909 122.820 -0.193 0.000 1.972 239 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 239 A C 1.351 178.709 177.584 -0.376 0.000 1.169 239 A CA 1.188 53.076 52.037 -0.248 0.000 0.635 239 A CB -0.215 18.659 19.000 -0.211 0.000 0.810 239 A HN 0.273 nan 8.150 nan 0.000 0.446 240 F N -1.088 118.835 119.950 -0.046 0.000 2.654 240 F HA 0.222 4.749 4.527 -0.000 0.000 0.303 240 F C 0.230 176.062 175.800 0.053 0.000 1.099 240 F CA -0.122 57.877 58.000 -0.001 0.000 1.270 240 F CB 0.443 39.473 39.000 0.050 0.000 1.024 240 F HN 0.199 nan 8.300 nan 0.000 0.548 241 D N 2.121 122.628 120.400 0.177 0.000 2.812 241 D HA -0.227 4.413 4.640 -0.000 0.000 0.237 241 D C -0.518 175.955 176.300 0.288 0.000 1.162 241 D CA 0.507 54.664 54.000 0.261 0.000 0.740 241 D CB -0.969 39.925 40.800 0.158 0.000 1.000 241 D HN 0.356 nan 8.370 nan 0.000 0.416 242 I N 2.330 123.110 120.570 0.350 0.000 2.361 242 I HA 0.214 4.384 4.170 -0.000 0.000 0.282 242 I C 0.732 177.072 176.117 0.372 0.000 1.075 242 I CA -0.589 60.894 61.300 0.304 0.000 1.205 242 I CB 0.394 38.560 38.000 0.276 0.000 1.406 242 I HN 0.078 nan 8.210 nan 0.000 0.481 243 K N 5.826 126.399 120.400 0.289 0.000 2.395 243 K HA 0.820 5.140 4.320 -0.000 0.000 0.245 243 K C -0.987 175.798 176.600 0.309 0.000 1.017 243 K CA -0.800 55.646 56.287 0.265 0.000 0.852 243 K CB 2.719 35.184 32.500 -0.059 0.000 1.311 243 K HN 0.340 nan 8.250 nan 0.000 0.452 244 F N -1.893 118.072 119.950 0.026 0.000 2.643 244 F HA 0.364 4.891 4.527 -0.000 0.000 0.314 244 F C -1.102 174.734 175.800 0.060 0.000 1.096 244 F CA -1.284 56.744 58.000 0.046 0.000 0.953 244 F CB 1.988 41.029 39.000 0.068 0.000 1.345 244 F HN 0.562 nan 8.300 nan 0.000 0.468 245 Q N 2.612 122.401 119.800 -0.018 0.000 2.296 245 Q HA 0.198 4.538 4.340 -0.000 0.000 0.257 245 Q C -0.944 175.083 176.000 0.045 0.000 0.942 245 Q CA -0.608 55.135 55.803 -0.100 0.000 0.939 245 Q CB 0.993 29.755 28.738 0.039 0.000 1.198 245 Q HN 0.751 nan 8.270 nan 0.000 0.429 246 D N 2.302 122.572 120.400 -0.217 0.000 2.414 246 D HA 0.071 4.711 4.640 -0.000 0.000 0.259 246 D C 0.808 177.114 176.300 0.011 0.000 1.269 246 D CA -0.024 53.996 54.000 0.033 0.000 1.028 246 D CB 0.855 41.582 40.800 -0.121 0.000 1.093 246 D HN 0.601 nan 8.370 nan 0.000 0.545 247 R N -0.391 119.908 120.500 -0.335 0.000 2.237 247 R HA -0.086 4.254 4.340 -0.000 0.000 0.219 247 R C 0.500 176.663 176.300 -0.228 0.000 1.080 247 R CA 1.105 56.861 56.100 -0.573 0.000 0.995 247 R CB -0.102 29.709 30.300 -0.815 0.000 0.875 247 R HN 0.409 nan 8.270 nan 0.000 0.462 248 D N -0.078 120.233 120.400 -0.148 0.000 2.370 248 D HA 0.005 4.644 4.640 -0.000 0.000 0.230 248 D C 0.284 176.547 176.300 -0.061 0.000 1.143 248 D CA -0.261 53.682 54.000 -0.093 0.000 0.834 248 D CB 0.130 40.880 40.800 -0.082 0.000 0.944 248 D HN -0.091 nan 8.370 nan 0.000 0.504 249 L N -1.718 119.482 121.223 -0.038 0.000 4.813 249 L HA -0.243 4.097 4.340 -0.000 0.000 0.434 249 L C -0.139 176.702 176.870 -0.049 0.000 1.106 249 L CA 0.879 55.712 54.840 -0.013 0.000 0.991 249 L CB -2.542 39.513 42.059 -0.007 0.000 2.005 249 L HN 0.229 nan 8.230 nan 0.000 0.817 250 Q N -0.681 119.065 119.800 -0.090 0.000 2.257 250 Q HA 0.662 5.001 4.340 -0.000 0.000 0.255 250 Q C -0.244 175.621 176.000 -0.224 0.000 0.920 250 Q CA -0.331 55.396 55.803 -0.128 0.000 0.927 250 Q CB 1.717 30.387 28.738 -0.113 0.000 1.229 250 Q HN 0.056 nan 8.270 nan 0.000 0.433 251 V N 4.352 124.138 119.914 -0.214 0.000 2.555 251 V HA 0.287 4.407 4.120 -0.000 0.000 0.286 251 V C -0.105 175.769 176.094 -0.366 0.000 1.044 251 V CA 0.074 62.197 62.300 -0.296 0.000 1.026 251 V CB 0.630 32.332 31.823 -0.202 0.000 0.981 251 V HN 0.656 nan 8.190 nan 0.000 0.480 252 K N 3.573 123.652 120.400 -0.535 0.000 2.512 252 K HA 0.522 4.842 4.320 -0.000 0.000 0.263 252 K C -1.345 175.202 176.600 -0.088 0.000 0.966 252 K CA -0.877 55.198 56.287 -0.354 0.000 0.851 252 K CB 2.183 34.493 32.500 -0.316 0.000 1.395 252 K HN 0.468 nan 8.250 nan 0.000 0.440 253 Y N 0.760 121.126 120.300 0.110 0.000 2.326 253 Y HA 0.156 4.706 4.550 -0.000 0.000 0.333 253 Y C 0.822 176.878 175.900 0.259 0.000 1.240 253 Y CA -0.900 57.289 58.100 0.149 0.000 1.365 253 Y CB 1.107 39.586 38.460 0.032 0.000 1.289 253 Y HN 0.288 nan 8.280 nan 0.000 0.548 254 V N 0.060 120.207 119.914 0.388 0.000 2.973 254 V HA 0.375 4.495 4.120 -0.000 0.000 0.314 254 V C -0.485 175.644 176.094 0.059 0.000 1.066 254 V CA -0.915 61.514 62.300 0.215 0.000 1.021 254 V CB 1.368 33.189 31.823 -0.003 0.000 1.076 254 V HN 0.656 nan 8.190 nan 0.000 0.462 255 H N 2.009 121.166 119.070 0.146 0.000 2.504 255 H HA 0.544 5.100 4.556 -0.000 0.000 0.322 255 H C -0.031 175.394 175.328 0.162 0.000 1.055 255 H CA 0.048 56.194 56.048 0.163 0.000 1.231 255 H CB 1.855 31.772 29.762 0.259 0.000 1.417 255 H HN 1.019 nan 8.280 nan 0.000 0.472 256 T N 0.476 115.150 114.554 0.200 0.000 2.940 256 T HA 0.543 4.893 4.350 -0.000 0.000 0.288 256 T C 0.482 175.324 174.700 0.237 0.000 1.033 256 T CA -0.909 61.324 62.100 0.221 0.000 1.033 256 T CB 2.217 71.226 68.868 0.235 0.000 1.079 256 T HN 0.605 nan 8.240 nan 0.000 0.496 257 T N -2.009 112.722 114.554 0.295 0.000 2.907 257 T HA 0.779 5.129 4.350 -0.000 0.000 0.290 257 T C -0.612 174.172 174.700 0.140 0.000 1.066 257 T CA -0.864 61.406 62.100 0.282 0.000 1.012 257 T CB 1.738 70.855 68.868 0.414 0.000 1.184 257 T HN 0.986 nan 8.240 nan 0.000 0.522 258 S N 0.700 116.449 115.700 0.082 0.000 2.562 258 S HA 0.691 5.161 4.470 -0.000 0.000 0.274 258 S C -2.101 172.388 174.600 -0.185 0.000 1.160 258 S CA -0.818 57.175 58.200 -0.343 0.000 0.933 258 S CB 0.876 63.903 63.200 -0.288 0.000 1.100 258 S HN 0.874 nan 8.310 nan 0.000 0.468 259 W N 2.386 123.439 121.300 -0.411 0.000 3.217 259 W HA 0.755 5.415 4.660 -0.000 0.000 0.323 259 W C -0.403 175.933 176.519 -0.307 0.000 1.216 259 W CA -1.282 55.885 57.345 -0.297 0.000 1.194 259 W CB 1.011 30.339 29.460 -0.220 0.000 1.397 259 W HN 1.037 nan 8.180 nan 0.000 0.537 260 G N 1.164 110.000 108.800 0.061 0.000 2.698 260 G HA2 0.675 4.635 3.960 -0.000 0.000 0.293 260 G HA3 0.675 4.635 3.960 -0.000 0.000 0.293 260 G C -2.653 172.155 174.900 -0.154 0.000 1.437 260 G CA -1.035 43.975 45.100 -0.149 0.000 0.852 260 G HN 0.773 nan 8.290 nan 0.000 0.499 261 L N 1.423 122.596 121.223 -0.084 0.000 2.516 261 L HA 0.700 5.039 4.340 -0.000 0.000 0.267 261 L C 0.129 177.233 176.870 0.389 0.000 0.957 261 L CA -0.528 54.287 54.840 -0.041 0.000 0.860 261 L CB 1.877 43.699 42.059 -0.395 0.000 1.265 261 L HN 0.859 nan 8.230 nan 0.000 0.403 262 S N 1.818 117.792 115.700 0.458 0.000 2.745 262 S HA 0.387 4.856 4.470 -0.000 0.000 0.292 262 S C 0.339 175.208 174.600 0.450 0.000 1.127 262 S CA -0.370 58.132 58.200 0.502 0.000 1.007 262 S CB 0.625 63.945 63.200 0.201 0.000 1.165 262 S HN 0.839 nan 8.310 nan 0.000 0.544 263 W N 0.145 121.360 121.300 -0.141 0.000 2.848 263 W HA 0.254 4.913 4.660 -0.000 0.000 0.241 263 W C 1.519 178.108 176.519 0.116 0.000 1.289 263 W CA -0.337 56.862 57.345 -0.243 0.000 1.396 263 W CB -1.230 27.917 29.460 -0.521 0.000 1.138 263 W HN 0.789 nan 8.180 nan 0.000 0.677 264 R N 0.049 120.869 120.500 0.533 0.000 2.152 264 R HA -0.159 4.181 4.340 -0.000 0.000 0.232 264 R C 1.900 178.363 176.300 0.272 0.000 1.117 264 R CA 1.453 57.758 56.100 0.342 0.000 0.981 264 R CB -1.037 29.361 30.300 0.165 0.000 0.870 264 R HN 0.190 nan 8.270 nan 0.000 0.451 265 F N 0.526 120.612 119.950 0.228 0.000 2.250 265 F HA -0.136 4.391 4.527 -0.000 0.000 0.301 265 F C 1.576 177.448 175.800 0.120 0.000 1.077 265 F CA 1.398 59.511 58.000 0.188 0.000 1.348 265 F CB 0.051 39.217 39.000 0.276 0.000 1.040 265 F HN 0.019 nan 8.300 nan 0.000 0.509 266 I N -0.613 120.085 120.570 0.214 0.000 2.353 266 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 266 I C 2.720 178.705 176.117 -0.220 0.000 1.119 266 I CA 1.192 62.434 61.300 -0.097 0.000 1.417 266 I CB -1.260 36.471 38.000 -0.448 0.000 1.078 266 I HN 0.222 nan 8.210 nan 0.000 0.421 267 G N 0.702 109.444 108.800 -0.096 0.000 2.432 267 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 267 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 267 G C 1.858 176.729 174.900 -0.048 0.000 1.135 267 G CA 0.841 45.961 45.100 0.033 0.000 0.767 267 G HN 0.482 nan 8.290 nan 0.000 0.550 268 A N 0.741 123.469 122.820 -0.154 0.000 1.898 268 A HA 0.094 4.414 4.320 -0.000 0.000 0.216 268 A C 2.376 179.815 177.584 -0.242 0.000 1.181 268 A CA 1.123 53.018 52.037 -0.236 0.000 0.620 268 A CB -0.325 18.453 19.000 -0.370 0.000 0.819 268 A HN 0.362 nan 8.150 nan 0.000 0.442 269 I N -0.150 120.271 120.570 -0.249 0.000 2.208 269 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 269 I C 2.285 178.374 176.117 -0.047 0.000 1.097 269 I CA 1.369 62.591 61.300 -0.130 0.000 1.363 269 I CB -0.313 37.652 38.000 -0.058 0.000 1.051 269 I HN 0.340 nan 8.210 nan 0.000 0.413 270 I N 0.072 120.614 120.570 -0.045 0.000 2.163 270 I HA -0.304 3.866 4.170 -0.000 0.000 0.240 270 I C 2.365 178.604 176.117 0.204 0.000 1.081 270 I CA 1.617 62.939 61.300 0.037 0.000 1.353 270 I CB -0.303 37.660 38.000 -0.062 0.000 1.054 270 I HN 0.181 nan 8.210 nan 0.000 0.407 271 M N -0.342 119.372 119.600 0.190 0.000 2.619 271 M HA -0.058 4.422 4.480 -0.000 0.000 0.251 271 M C 1.740 178.054 176.300 0.024 0.000 1.106 271 M CA 1.055 56.516 55.300 0.267 0.000 1.086 271 M CB -0.310 32.421 32.600 0.219 0.000 1.465 271 M HN 0.213 nan 8.290 nan 0.000 0.506 272 T N -1.728 112.724 114.554 -0.170 0.000 3.033 272 T HA 0.047 4.397 4.350 -0.000 0.000 0.248 272 T C 1.352 175.753 174.700 -0.498 0.000 1.040 272 T CA 0.776 62.612 62.100 -0.441 0.000 1.133 272 T CB 0.105 68.588 68.868 -0.641 0.000 0.895 272 T HN 0.373 nan 8.240 nan 0.000 0.465 273 H N -0.160 118.891 119.070 -0.032 0.000 2.986 273 H HA 0.383 4.939 4.556 -0.000 0.000 0.267 273 H C 1.296 176.641 175.328 0.029 0.000 1.072 273 H CA -0.324 55.707 56.048 -0.028 0.000 1.202 273 H CB -0.020 29.743 29.762 0.002 0.000 1.535 273 H HN 0.275 nan 8.280 nan 0.000 0.522 274 G N 1.755 110.684 108.800 0.215 0.000 2.594 274 G HA2 0.272 4.232 3.960 -0.000 0.000 0.243 274 G HA3 0.272 4.232 3.960 -0.000 0.000 0.243 274 G C -0.162 174.828 174.900 0.150 0.000 1.229 274 G CA -0.100 45.205 45.100 0.342 0.000 0.843 274 G HN 0.311 nan 8.290 nan 0.000 0.578 275 D N -1.283 119.253 120.400 0.227 0.000 2.732 275 D HA 0.241 4.881 4.640 -0.000 0.000 0.292 275 D C 0.123 176.522 176.300 0.165 0.000 1.135 275 D CA -0.775 53.243 54.000 0.030 0.000 1.071 275 D CB 0.374 41.189 40.800 0.026 0.000 1.457 275 D HN 0.163 nan 8.370 nan 0.000 0.547 276 D N -0.958 119.472 120.400 0.049 0.000 2.351 276 D HA -0.035 4.605 4.640 -0.000 0.000 0.216 276 D C 1.185 177.609 176.300 0.207 0.000 0.968 276 D CA 0.640 54.730 54.000 0.149 0.000 0.899 276 D CB 0.069 40.898 40.800 0.048 0.000 0.907 276 D HN 0.299 nan 8.370 nan 0.000 0.514 277 R N -0.565 120.030 120.500 0.159 0.000 2.334 277 R HA 0.350 4.689 4.340 -0.000 0.000 0.216 277 R C 1.030 177.371 176.300 0.067 0.000 0.905 277 R CA 0.304 56.464 56.100 0.100 0.000 1.064 277 R CB 0.923 31.260 30.300 0.062 0.000 1.046 277 R HN 0.117 nan 8.270 nan 0.000 0.508 278 G N 0.443 109.337 108.800 0.157 0.000 2.265 278 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.246 278 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.246 278 G C -0.929 174.044 174.900 0.121 0.000 1.299 278 G CA -1.040 44.093 45.100 0.055 0.000 1.117 278 G HN -0.011 nan 8.290 nan 0.000 0.485 279 L N -0.187 121.052 121.223 0.026 0.000 2.464 279 L HA 0.575 4.915 4.340 -0.000 0.000 0.264 279 L C 0.244 177.185 176.870 0.118 0.000 1.199 279 L CA -0.575 54.307 54.840 0.071 0.000 0.818 279 L CB 1.082 43.162 42.059 0.036 0.000 1.102 279 L HN 0.418 nan 8.230 nan 0.000 0.473 280 V N 3.422 123.426 119.914 0.149 0.000 2.595 280 V HA 0.244 4.364 4.120 -0.000 0.000 0.269 280 V C -0.066 176.136 176.094 0.179 0.000 0.982 280 V CA -0.373 62.030 62.300 0.172 0.000 0.873 280 V CB 1.297 33.221 31.823 0.168 0.000 1.051 280 V HN 0.479 nan 8.190 nan 0.000 0.466 281 L N 6.543 127.854 121.223 0.146 0.000 2.380 281 L HA 0.390 4.730 4.340 -0.000 0.000 0.273 281 L C -1.852 175.100 176.870 0.136 0.000 1.138 281 L CA -1.497 53.415 54.840 0.119 0.000 0.832 281 L CB 1.255 43.357 42.059 0.071 0.000 1.124 281 L HN 0.319 nan 8.230 nan 0.000 0.454 282 P HA 0.127 nan 4.420 nan 0.000 0.271 282 P C -2.301 175.086 177.300 0.146 0.000 1.220 282 P CA -1.494 61.703 63.100 0.162 0.000 0.768 282 P CB 0.708 32.519 31.700 0.185 0.000 0.848 283 P HA -0.173 nan 4.420 nan 0.000 0.218 283 P C 1.247 178.573 177.300 0.042 0.000 1.154 283 P CA 1.945 65.082 63.100 0.062 0.000 0.872 283 P CB -0.097 31.669 31.700 0.111 0.000 0.790 284 R N -1.459 119.070 120.500 0.048 0.000 2.323 284 R HA 0.134 4.473 4.340 -0.000 0.000 0.198 284 R C 1.591 177.962 176.300 0.118 0.000 0.988 284 R CA 0.584 56.700 56.100 0.027 0.000 1.041 284 R CB -0.249 29.980 30.300 -0.119 0.000 0.926 284 R HN 0.292 nan 8.270 nan 0.000 0.476 285 L N -0.892 120.398 121.223 0.113 0.000 2.993 285 L HA 0.341 4.681 4.340 -0.000 0.000 0.264 285 L C 0.338 177.224 176.870 0.028 0.000 1.154 285 L CA -0.428 54.467 54.840 0.092 0.000 0.972 285 L CB 0.559 42.711 42.059 0.154 0.000 1.373 285 L HN -0.021 nan 8.230 nan 0.000 0.564 286 A N 1.928 124.762 122.820 0.024 0.000 2.524 286 A HA 0.224 4.544 4.320 -0.000 0.000 0.250 286 A C -1.328 176.243 177.584 -0.023 0.000 1.078 286 A CA -0.854 51.178 52.037 -0.009 0.000 0.761 286 A CB -0.158 18.846 19.000 0.007 0.000 1.012 286 A HN 0.003 nan 8.150 nan 0.000 0.500 287 P HA -0.062 nan 4.420 nan 0.000 0.218 287 P C 0.119 177.432 177.300 0.021 0.000 1.149 287 P CA 1.279 64.362 63.100 -0.028 0.000 0.817 287 P CB 0.086 31.745 31.700 -0.068 0.000 0.785 288 I N -0.134 120.470 120.570 0.056 0.000 2.439 288 I HA 0.216 4.386 4.170 -0.000 0.000 0.283 288 I C 1.335 177.449 176.117 -0.005 0.000 1.023 288 I CA -0.501 60.804 61.300 0.010 0.000 1.100 288 I CB 2.004 39.972 38.000 -0.052 0.000 1.238 288 I HN -0.226 nan 8.210 nan 0.000 0.445 289 Q N 3.519 123.308 119.800 -0.019 0.000 2.165 289 Q HA 0.152 4.492 4.340 -0.000 0.000 0.197 289 Q C -0.112 175.885 176.000 -0.004 0.000 0.952 289 Q CA 0.955 56.746 55.803 -0.020 0.000 0.848 289 Q CB 0.699 29.429 28.738 -0.013 0.000 0.931 289 Q HN 0.489 nan 8.270 nan 0.000 0.470 290 V N 0.854 120.755 119.914 -0.022 0.000 2.577 290 V HA 0.357 4.477 4.120 -0.000 0.000 0.303 290 V C -1.069 174.976 176.094 -0.080 0.000 1.042 290 V CA -0.827 61.464 62.300 -0.016 0.000 0.872 290 V CB 2.134 33.940 31.823 -0.029 0.000 0.998 290 V HN -0.061 nan 8.190 nan 0.000 0.423 291 V N 6.683 126.528 119.914 -0.116 0.000 2.448 291 V HA 0.592 4.712 4.120 -0.000 0.000 0.295 291 V C -0.376 175.646 176.094 -0.119 0.000 1.025 291 V CA -0.373 61.784 62.300 -0.238 0.000 0.859 291 V CB 1.543 33.017 31.823 -0.583 0.000 0.988 291 V HN 0.756 nan 8.190 nan 0.000 0.431 292 I N 7.095 127.594 120.570 -0.117 0.000 2.315 292 I HA 0.381 4.551 4.170 -0.000 0.000 0.291 292 I C -0.493 175.629 176.117 0.009 0.000 1.006 292 I CA -0.591 60.689 61.300 -0.033 0.000 1.265 292 I CB 1.713 39.687 38.000 -0.043 0.000 1.387 292 I HN 0.285 nan 8.210 nan 0.000 0.475 293 V N 8.796 128.783 119.914 0.122 0.000 2.293 293 V HA 0.276 4.396 4.120 -0.000 0.000 0.275 293 V C -2.071 174.104 176.094 0.134 0.000 1.021 293 V CA -1.641 60.758 62.300 0.165 0.000 0.815 293 V CB 1.227 33.264 31.823 0.356 0.000 1.025 293 V HN 0.591 nan 8.190 nan 0.000 0.448 294 P HA 0.393 nan 4.420 nan 0.000 0.276 294 P C -0.778 176.517 177.300 -0.008 0.000 1.235 294 P CA -0.011 63.154 63.100 0.109 0.000 0.772 294 P CB 1.467 33.279 31.700 0.188 0.000 0.871 295 I N 5.542 126.115 120.570 0.005 0.000 2.465 295 I HA 0.486 4.656 4.170 -0.000 0.000 0.291 295 I C -0.308 175.769 176.117 -0.067 0.000 1.014 295 I CA -0.834 60.379 61.300 -0.144 0.000 1.093 295 I CB 1.487 39.483 38.000 -0.006 0.000 1.267 295 I HN 0.432 nan 8.210 nan 0.000 0.431 296 Y N 3.692 124.007 120.300 0.024 0.000 2.818 296 Y HA 0.640 5.190 4.550 -0.000 0.000 0.341 296 Y C -1.535 174.372 175.900 0.011 0.000 1.283 296 Y CA -1.594 56.517 58.100 0.018 0.000 1.075 296 Y CB 0.815 39.283 38.460 0.013 0.000 1.370 296 Y HN 0.313 nan 8.280 nan 0.000 0.448 297 K N -0.059 120.555 120.400 0.356 0.000 2.312 297 K HA 0.343 4.663 4.320 -0.000 0.000 0.236 297 K C -0.435 176.301 176.600 0.228 0.000 1.079 297 K CA -0.562 55.863 56.287 0.230 0.000 0.900 297 K CB 1.209 33.777 32.500 0.113 0.000 1.297 297 K HN 0.734 nan 8.250 nan 0.000 0.498 298 D N 1.218 121.691 120.400 0.121 0.000 2.123 298 D HA -0.202 4.438 4.640 -0.000 0.000 0.196 298 D C 1.345 177.647 176.300 0.004 0.000 0.992 298 D CA 1.663 55.696 54.000 0.055 0.000 0.833 298 D CB 0.130 40.951 40.800 0.036 0.000 0.954 298 D HN 0.563 nan 8.370 nan 0.000 0.455 299 E N -0.341 119.869 120.200 0.017 0.000 2.478 299 E HA 0.104 4.454 4.350 -0.000 0.000 0.194 299 E C 1.259 177.854 176.600 -0.008 0.000 1.045 299 E CA 0.492 56.890 56.400 -0.003 0.000 0.868 299 E CB 0.151 29.855 29.700 0.006 0.000 0.885 299 E HN -0.032 nan 8.360 nan 0.000 0.505 300 S N 0.115 115.825 115.700 0.017 0.000 2.486 300 S HA 0.097 4.567 4.470 -0.000 0.000 0.220 300 S C 1.588 176.151 174.600 -0.061 0.000 1.011 300 S CA 0.185 58.403 58.200 0.029 0.000 0.921 300 S CB -0.098 63.172 63.200 0.116 0.000 0.785 300 S HN 0.269 nan 8.310 nan 0.000 0.517 301 R N 1.985 122.349 120.500 -0.227 0.000 2.154 301 R HA -0.229 4.111 4.340 -0.000 0.000 0.236 301 R C 2.059 178.115 176.300 -0.405 0.000 1.121 301 R CA 2.120 57.807 56.100 -0.688 0.000 0.915 301 R CB -0.376 29.494 30.300 -0.715 0.000 0.856 301 R HN 0.416 nan 8.270 nan 0.000 0.431 302 E N -0.299 119.761 120.200 -0.233 0.000 2.048 302 E HA -0.277 4.073 4.350 -0.000 0.000 0.202 302 E C 2.283 178.823 176.600 -0.101 0.000 1.021 302 E CA 1.754 58.066 56.400 -0.146 0.000 0.825 302 E CB -0.114 29.529 29.700 -0.094 0.000 0.756 302 E HN 0.345 nan 8.360 nan 0.000 0.454 303 R N 0.086 120.545 120.500 -0.069 0.000 2.115 303 R HA -0.211 4.129 4.340 -0.000 0.000 0.239 303 R C 2.481 178.772 176.300 -0.015 0.000 1.133 303 R CA 1.893 57.975 56.100 -0.031 0.000 0.935 303 R CB -0.732 29.562 30.300 -0.010 0.000 0.853 303 R HN 0.103 nan 8.270 nan 0.000 0.433 304 V N 1.650 121.565 119.914 0.001 0.000 2.233 304 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 304 V C 2.453 178.571 176.094 0.040 0.000 1.050 304 V CA 1.961 64.297 62.300 0.060 0.000 1.010 304 V CB -0.551 31.387 31.823 0.191 0.000 0.637 304 V HN 0.334 nan 8.190 nan 0.000 0.444 305 L N -0.275 120.939 121.223 -0.014 0.000 2.043 305 L HA -0.270 4.069 4.340 -0.000 0.000 0.212 305 L C 2.619 179.481 176.870 -0.013 0.000 1.075 305 L CA 2.179 57.012 54.840 -0.012 0.000 0.752 305 L CB -0.647 41.366 42.059 -0.078 0.000 0.891 305 L HN 0.496 nan 8.230 nan 0.000 0.432 306 E N 0.239 120.424 120.200 -0.026 0.000 2.051 306 E HA -0.250 4.100 4.350 -0.000 0.000 0.192 306 E C 2.231 178.826 176.600 -0.008 0.000 0.991 306 E CA 1.286 57.673 56.400 -0.020 0.000 0.799 306 E CB -0.000 29.685 29.700 -0.024 0.000 0.748 306 E HN 0.465 nan 8.360 nan 0.000 0.449 307 A N 1.209 124.030 122.820 0.000 0.000 1.902 307 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 307 A C 2.394 179.983 177.584 0.008 0.000 1.181 307 A CA 1.841 53.882 52.037 0.006 0.000 0.623 307 A CB -0.802 18.207 19.000 0.016 0.000 0.818 307 A HN 0.419 nan 8.150 nan 0.000 0.443 308 A N -0.618 122.213 122.820 0.018 0.000 1.865 308 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 308 A C 2.130 179.712 177.584 -0.004 0.000 1.191 308 A CA 1.892 53.939 52.037 0.016 0.000 0.623 308 A CB -0.686 18.336 19.000 0.036 0.000 0.826 308 A HN 0.634 nan 8.150 nan 0.000 0.444 309 Q N -0.811 118.984 119.800 -0.007 0.000 2.124 309 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 309 Q C 2.198 178.189 176.000 -0.015 0.000 0.977 309 Q CA 1.173 56.967 55.803 -0.015 0.000 0.850 309 Q CB -0.469 28.261 28.738 -0.015 0.000 0.901 309 Q HN 0.702 nan 8.270 nan 0.000 0.429 310 G N 1.034 109.827 108.800 -0.012 0.000 2.446 310 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.217 310 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.217 310 G C 1.342 176.232 174.900 -0.016 0.000 1.168 310 G CA 0.784 45.876 45.100 -0.013 0.000 0.771 310 G HN 0.276 nan 8.290 nan 0.000 0.551 311 L N 0.639 121.852 121.223 -0.016 0.000 2.083 311 L HA 0.075 4.414 4.340 -0.000 0.000 0.209 311 L C 2.697 179.551 176.870 -0.028 0.000 1.083 311 L CA 1.907 56.734 54.840 -0.021 0.000 0.752 311 L CB -0.485 41.563 42.059 -0.018 0.000 0.899 311 L HN 0.196 nan 8.230 nan 0.000 0.433 312 R N -0.863 119.620 120.500 -0.028 0.000 2.083 312 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 312 R C 2.088 178.372 176.300 -0.027 0.000 1.137 312 R CA 1.721 57.801 56.100 -0.033 0.000 0.951 312 R CB -0.246 30.032 30.300 -0.037 0.000 0.851 312 R HN 0.501 nan 8.270 nan 0.000 0.434 313 Q N -0.198 119.588 119.800 -0.022 0.000 2.167 313 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 313 Q C 2.006 177.994 176.000 -0.021 0.000 0.970 313 Q CA 1.410 57.201 55.803 -0.019 0.000 0.855 313 Q CB -0.210 28.519 28.738 -0.016 0.000 0.911 313 Q HN 0.417 nan 8.270 nan 0.000 0.438 314 A N 0.988 123.794 122.820 -0.024 0.000 1.873 314 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 314 A C 2.237 179.802 177.584 -0.032 0.000 1.186 314 A CA 0.988 53.010 52.037 -0.026 0.000 0.616 314 A CB -0.650 18.334 19.000 -0.027 0.000 0.823 314 A HN 0.296 nan 8.150 nan 0.000 0.442 315 L N -0.662 120.540 121.223 -0.036 0.000 2.056 315 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 315 L C 2.532 179.381 176.870 -0.035 0.000 1.078 315 L CA 0.858 55.673 54.840 -0.042 0.000 0.749 315 L CB -0.620 41.410 42.059 -0.048 0.000 0.901 315 L HN 0.349 nan 8.230 nan 0.000 0.433 316 L N -0.014 121.192 121.223 -0.028 0.000 2.083 316 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 316 L C 2.859 179.716 176.870 -0.022 0.000 1.083 316 L CA 1.123 55.950 54.840 -0.022 0.000 0.752 316 L CB -0.705 41.345 42.059 -0.016 0.000 0.899 316 L HN 0.253 nan 8.230 nan 0.000 0.433 317 A N -1.006 121.800 122.820 -0.023 0.000 2.070 317 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 317 A C 2.101 179.670 177.584 -0.025 0.000 1.159 317 A CA 1.177 53.201 52.037 -0.022 0.000 0.656 317 A CB -0.231 18.756 19.000 -0.021 0.000 0.800 317 A HN 0.385 nan 8.150 nan 0.000 0.453 318 Q N -1.532 118.250 119.800 -0.030 0.000 2.403 318 Q HA 0.156 4.496 4.340 -0.000 0.000 0.203 318 Q C 1.239 177.219 176.000 -0.033 0.000 0.932 318 Q CA 0.766 56.548 55.803 -0.034 0.000 0.945 318 Q CB 0.084 28.796 28.738 -0.044 0.000 1.045 318 Q HN 0.969 nan 8.270 nan 0.000 0.511 319 G N 0.683 109.466 108.800 -0.029 0.000 2.143 319 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.249 319 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.249 319 G C 0.050 174.933 174.900 -0.029 0.000 0.981 319 G CA 0.045 45.129 45.100 -0.027 0.000 0.665 319 G HN 0.276 nan 8.290 nan 0.000 0.528 320 L N -0.096 121.107 121.223 -0.033 0.000 2.399 320 L HA 0.499 4.838 4.340 -0.000 0.000 0.266 320 L C 1.152 178.006 176.870 -0.026 0.000 1.114 320 L CA -0.791 54.029 54.840 -0.035 0.000 0.804 320 L CB 0.808 42.839 42.059 -0.047 0.000 1.146 320 L HN 0.058 nan 8.230 nan 0.000 0.451 321 R N 1.967 122.454 120.500 -0.022 0.000 2.408 321 R HA 0.317 4.657 4.340 -0.000 0.000 0.308 321 R C -0.637 175.654 176.300 -0.016 0.000 1.210 321 R CA -0.262 55.829 56.100 -0.014 0.000 1.115 321 R CB 1.071 31.365 30.300 -0.011 0.000 1.127 321 R HN 0.354 nan 8.270 nan 0.000 0.523 322 V N 2.896 122.802 119.914 -0.013 0.000 2.630 322 V HA 0.372 4.492 4.120 -0.000 0.000 0.305 322 V C -1.158 174.945 176.094 0.016 0.000 1.046 322 V CA -0.699 61.589 62.300 -0.020 0.000 0.934 322 V CB 1.702 33.504 31.823 -0.035 0.000 1.003 322 V HN 0.766 nan 8.190 nan 0.000 0.451 323 H N 5.047 124.028 119.070 -0.148 0.000 2.689 323 H HA 0.614 5.170 4.556 -0.000 0.000 0.346 323 H C -1.321 173.907 175.328 -0.167 0.000 1.037 323 H CA -0.657 55.289 56.048 -0.170 0.000 1.234 323 H CB 1.731 31.320 29.762 -0.289 0.000 1.572 323 H HN 0.754 nan 8.280 nan 0.000 0.524 324 L N 4.446 125.299 121.223 -0.617 0.000 2.257 324 L HA 0.311 4.651 4.340 -0.000 0.000 0.290 324 L C -0.457 176.038 176.870 -0.625 0.000 1.044 324 L CA -0.226 54.344 54.840 -0.450 0.000 0.810 324 L CB 0.896 42.828 42.059 -0.212 0.000 1.193 324 L HN 0.716 nan 8.230 nan 0.000 0.425 325 D N 3.171 123.368 120.400 -0.338 0.000 2.522 325 D HA 0.092 4.732 4.640 -0.000 0.000 0.218 325 D C 0.271 176.595 176.300 0.040 0.000 1.149 325 D CA -0.006 53.959 54.000 -0.059 0.000 0.981 325 D CB 0.485 41.430 40.800 0.243 0.000 1.041 325 D HN 0.572 nan 8.370 nan 0.000 0.518 326 D N 1.396 121.810 120.400 0.023 0.000 2.224 326 D HA -0.058 4.582 4.640 -0.000 0.000 0.205 326 D C 0.399 176.760 176.300 0.103 0.000 0.965 326 D CA 0.321 54.365 54.000 0.073 0.000 0.852 326 D CB 0.122 40.954 40.800 0.053 0.000 0.947 326 D HN 0.372 nan 8.370 nan 0.000 0.494 327 R N 1.812 122.384 120.500 0.120 0.000 3.150 327 R HA -0.136 4.204 4.340 -0.000 0.000 0.279 327 R C 0.860 177.199 176.300 0.065 0.000 0.742 327 R CA 0.303 56.472 56.100 0.116 0.000 1.080 327 R CB 0.213 30.641 30.300 0.213 0.000 0.918 327 R HN 0.163 nan 8.270 nan 0.000 0.386 328 D N 2.996 123.413 120.400 0.028 0.000 2.333 328 D HA -0.104 4.536 4.640 -0.000 0.000 0.208 328 D C 1.176 177.422 176.300 -0.090 0.000 0.984 328 D CA 0.651 54.655 54.000 0.008 0.000 0.873 328 D CB 0.445 41.272 40.800 0.045 0.000 0.935 328 D HN 0.652 nan 8.370 nan 0.000 0.521 329 Q N -0.546 119.147 119.800 -0.179 0.000 2.515 329 Q HA -0.016 4.324 4.340 -0.000 0.000 0.212 329 Q C 0.017 175.605 176.000 -0.686 0.000 0.970 329 Q CA 0.803 56.369 55.803 -0.395 0.000 0.941 329 Q CB 0.087 28.543 28.738 -0.470 0.000 0.998 329 Q HN 0.218 nan 8.270 nan 0.000 0.518 330 H N 0.452 119.405 119.070 -0.196 0.000 2.895 330 H HA 0.272 4.828 4.556 -0.000 0.000 0.373 330 H C -0.395 174.831 175.328 -0.169 0.000 1.174 330 H CA -0.334 55.546 56.048 -0.280 0.000 1.144 330 H CB 1.955 31.497 29.762 -0.366 0.000 1.793 330 H HN 0.236 nan 8.280 nan 0.000 0.551 331 T N -0.839 113.721 114.554 0.011 0.000 2.882 331 T HA 0.163 4.513 4.350 -0.000 0.000 0.287 331 T C -1.826 172.807 174.700 -0.112 0.000 1.014 331 T CA -1.666 60.404 62.100 -0.050 0.000 1.049 331 T CB 1.614 70.468 68.868 -0.024 0.000 1.001 331 T HN 0.173 nan 8.240 nan 0.000 0.525 332 P HA -0.030 nan 4.420 nan 0.000 0.215 332 P C 1.858 178.679 177.300 -0.799 0.000 1.157 332 P CA 1.491 64.213 63.100 -0.631 0.000 0.874 332 P CB -0.460 30.939 31.700 -0.502 0.000 0.790 333 G N -1.137 107.485 108.800 -0.297 0.000 2.476 333 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.218 333 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.218 333 G C 1.589 176.480 174.900 -0.016 0.000 1.164 333 G CA 0.953 46.025 45.100 -0.047 0.000 0.768 333 G HN 0.260 nan 8.290 nan 0.000 0.560 334 Y N 1.599 121.820 120.300 -0.130 0.000 2.128 334 Y HA -0.161 4.389 4.550 -0.000 0.000 0.284 334 Y C 2.876 178.664 175.900 -0.187 0.000 1.154 334 Y CA 2.390 60.416 58.100 -0.124 0.000 1.149 334 Y CB -0.088 38.307 38.460 -0.108 0.000 0.976 334 Y HN 0.164 nan 8.280 nan 0.000 0.505 335 K N -0.679 119.708 120.400 -0.021 0.000 2.026 335 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 335 K C 1.738 178.327 176.600 -0.019 0.000 1.048 335 K CA 1.677 57.910 56.287 -0.089 0.000 0.929 335 K CB -0.449 32.065 32.500 0.024 0.000 0.713 335 K HN 0.239 nan 8.250 nan 0.000 0.439 336 F N 0.672 120.672 119.950 0.083 0.000 2.216 336 F HA -0.183 4.344 4.527 -0.000 0.000 0.300 336 F C 2.418 178.221 175.800 0.006 0.000 1.085 336 F CA 1.101 59.161 58.000 0.100 0.000 1.326 336 F CB -1.026 38.031 39.000 0.095 0.000 1.027 336 F HN 0.279 nan 8.300 nan 0.000 0.497 337 H N 0.197 119.267 119.070 0.000 0.000 2.395 337 H HA -0.105 4.451 4.556 -0.000 0.000 0.299 337 H C 2.180 177.338 175.328 -0.282 0.000 1.070 337 H CA 1.556 57.526 56.048 -0.130 0.000 1.356 337 H CB 0.084 29.729 29.762 -0.195 0.000 1.401 337 H HN 0.430 nan 8.280 nan 0.000 0.524 338 E N 0.252 120.118 120.200 -0.556 0.000 2.028 338 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 338 E C 2.039 178.231 176.600 -0.679 0.000 0.988 338 E CA 1.166 57.082 56.400 -0.805 0.000 0.799 338 E CB -0.338 28.674 29.700 -1.147 0.000 0.755 338 E HN 0.516 nan 8.360 nan 0.000 0.447 339 W N 1.353 122.564 121.300 -0.147 0.000 2.374 339 W HA -0.094 4.566 4.660 -0.000 0.000 0.288 339 W C 2.371 178.834 176.519 -0.093 0.000 1.218 339 W CA 0.768 58.055 57.345 -0.098 0.000 1.245 339 W CB -0.030 29.435 29.460 0.009 0.000 1.126 339 W HN 0.309 nan 8.180 nan 0.000 0.545 340 E N 1.032 121.260 120.200 0.046 0.000 2.047 340 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 340 E C 2.125 178.674 176.600 -0.086 0.000 0.987 340 E CA 1.142 57.538 56.400 -0.007 0.000 0.799 340 E CB -0.432 29.244 29.700 -0.040 0.000 0.752 340 E HN 0.263 nan 8.360 nan 0.000 0.449 341 L N 0.690 121.760 121.223 -0.256 0.000 2.013 341 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 341 L C 2.328 179.112 176.870 -0.143 0.000 1.073 341 L CA 1.554 56.230 54.840 -0.273 0.000 0.753 341 L CB -0.168 41.624 42.059 -0.444 0.000 0.890 341 L HN 0.122 nan 8.230 nan 0.000 0.432 342 K N -0.333 119.994 120.400 -0.121 0.000 2.525 342 K HA 0.043 4.363 4.320 -0.000 0.000 0.192 342 K C 0.873 177.592 176.600 0.199 0.000 1.029 342 K CA 0.539 56.844 56.287 0.030 0.000 1.029 342 K CB -0.017 32.355 32.500 -0.212 0.000 0.814 342 K HN 0.482 nan 8.250 nan 0.000 0.503 343 G N 1.761 110.631 108.800 0.115 0.000 2.295 343 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.287 343 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.287 343 G C 0.036 175.008 174.900 0.121 0.000 1.055 343 G CA -0.093 45.082 45.100 0.123 0.000 0.922 343 G HN 0.125 nan 8.290 nan 0.000 0.503 344 V N 0.490 120.485 119.914 0.134 0.000 2.521 344 V HA 0.114 4.234 4.120 -0.000 0.000 0.286 344 V C 0.111 176.132 176.094 -0.122 0.000 1.034 344 V CA -0.400 61.932 62.300 0.054 0.000 1.045 344 V CB 1.271 33.141 31.823 0.078 0.000 0.974 344 V HN 0.216 nan 8.190 nan 0.000 0.480 345 P HA -0.128 nan 4.420 nan 0.000 0.215 345 P C -0.115 176.634 177.300 -0.919 0.000 1.163 345 P CA 1.568 64.103 63.100 -0.943 0.000 0.894 345 P CB 0.154 31.276 31.700 -0.964 0.000 0.791 346 F N -2.727 117.064 119.950 -0.266 0.000 2.576 346 F HA 0.510 5.037 4.527 -0.000 0.000 0.313 346 F C 0.600 176.348 175.800 -0.087 0.000 1.078 346 F CA -0.960 56.952 58.000 -0.146 0.000 0.921 346 F CB 1.999 40.916 39.000 -0.139 0.000 1.232 346 F HN -0.459 nan 8.300 nan 0.000 0.459 347 R N 1.491 122.080 120.500 0.149 0.000 2.621 347 R HA 0.815 5.155 4.340 -0.000 0.000 0.292 347 R C -2.196 174.146 176.300 0.071 0.000 0.969 347 R CA -0.621 55.530 56.100 0.084 0.000 0.887 347 R CB 1.992 32.323 30.300 0.052 0.000 1.180 347 R HN 0.560 nan 8.270 nan 0.000 0.450 348 V N 4.198 124.150 119.914 0.064 0.000 2.378 348 V HA 0.263 4.383 4.120 -0.000 0.000 0.288 348 V C -0.669 175.480 176.094 0.093 0.000 1.016 348 V CA -0.711 61.620 62.300 0.050 0.000 0.840 348 V CB 1.590 33.429 31.823 0.025 0.000 0.994 348 V HN 0.800 nan 8.190 nan 0.000 0.431 349 E N 5.345 125.589 120.200 0.073 0.000 2.081 349 E HA 0.403 4.753 4.350 -0.000 0.000 0.281 349 E C -0.677 175.992 176.600 0.115 0.000 0.986 349 E CA -0.304 56.187 56.400 0.152 0.000 0.796 349 E CB 1.924 31.671 29.700 0.079 0.000 1.085 349 E HN 0.490 nan 8.360 nan 0.000 0.398 350 L N 3.732 125.030 121.223 0.125 0.000 2.321 350 L HA 0.422 4.762 4.340 -0.000 0.000 0.272 350 L C 0.085 177.017 176.870 0.104 0.000 1.050 350 L CA -0.369 54.527 54.840 0.093 0.000 0.893 350 L CB 0.457 42.564 42.059 0.079 0.000 1.272 350 L HN 0.590 nan 8.230 nan 0.000 0.435 351 G N 3.392 112.247 108.800 0.092 0.000 2.521 351 G HA2 0.441 4.401 3.960 -0.000 0.000 0.323 351 G HA3 0.441 4.401 3.960 -0.000 0.000 0.323 351 G C -2.383 172.566 174.900 0.082 0.000 1.211 351 G CA -1.110 44.044 45.100 0.091 0.000 0.979 351 G HN 0.375 nan 8.290 nan 0.000 0.490 352 P HA -0.053 nan 4.420 nan 0.000 0.213 352 P C 1.672 179.003 177.300 0.051 0.000 1.170 352 P CA 1.616 64.759 63.100 0.071 0.000 0.893 352 P CB 0.142 31.888 31.700 0.076 0.000 0.784 353 K N -0.105 120.324 120.400 0.047 0.000 2.015 353 K HA -0.206 4.113 4.320 -0.000 0.000 0.216 353 K C 1.823 178.443 176.600 0.033 0.000 1.052 353 K CA 1.918 58.227 56.287 0.037 0.000 0.937 353 K CB -1.264 31.258 32.500 0.036 0.000 0.719 353 K HN 0.154 nan 8.250 nan 0.000 0.446 354 D N 0.957 121.379 120.400 0.037 0.000 2.178 354 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 354 D C 1.979 178.296 176.300 0.029 0.000 0.980 354 D CA 0.846 54.865 54.000 0.031 0.000 0.842 354 D CB -0.128 40.692 40.800 0.034 0.000 0.948 354 D HN 0.059 nan 8.370 nan 0.000 0.472 355 L N 1.772 123.016 121.223 0.035 0.000 2.083 355 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 355 L C 1.918 178.802 176.870 0.022 0.000 1.083 355 L CA 1.629 56.487 54.840 0.030 0.000 0.752 355 L CB -0.600 41.482 42.059 0.038 0.000 0.899 355 L HN -0.074 nan 8.230 nan 0.000 0.433 356 E N -0.602 119.612 120.200 0.023 0.000 2.171 356 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 356 E C 1.465 178.073 176.600 0.014 0.000 0.997 356 E CA 1.035 57.445 56.400 0.018 0.000 0.810 356 E CB -0.336 29.375 29.700 0.019 0.000 0.738 356 E HN 0.651 nan 8.360 nan 0.000 0.467 357 G N -0.637 108.172 108.800 0.015 0.000 3.707 357 G HA2 0.301 4.261 3.960 -0.000 0.000 0.286 357 G HA3 0.301 4.261 3.960 -0.000 0.000 0.286 357 G C 0.761 175.666 174.900 0.009 0.000 1.112 357 G CA 0.018 45.125 45.100 0.011 0.000 0.861 357 G HN 0.300 nan 8.290 nan 0.000 0.534 358 G N -0.253 108.553 108.800 0.010 0.000 2.283 358 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.280 358 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.280 358 G C 0.181 175.085 174.900 0.007 0.000 1.029 358 G CA 0.741 45.845 45.100 0.007 0.000 0.840 358 G HN 0.647 nan 8.290 nan 0.000 0.505 359 Q N -1.499 118.308 119.800 0.011 0.000 2.668 359 Q HA 0.879 5.219 4.340 -0.000 0.000 0.298 359 Q C -0.143 175.867 176.000 0.017 0.000 1.071 359 Q CA -0.484 55.326 55.803 0.011 0.000 0.789 359 Q CB 2.244 30.988 28.738 0.011 0.000 1.497 359 Q HN 1.084 nan 8.270 nan 0.000 0.460 360 A N 0.070 122.899 122.820 0.015 0.000 2.599 360 A HA 0.665 4.985 4.320 -0.000 0.000 0.290 360 A C -1.579 176.015 177.584 0.017 0.000 1.101 360 A CA -0.525 51.526 52.037 0.023 0.000 0.674 360 A CB 1.267 20.280 19.000 0.023 0.000 1.277 360 A HN 0.310 nan 8.150 nan 0.000 0.419 361 V N 0.815 120.741 119.914 0.019 0.000 2.427 361 V HA 0.544 4.664 4.120 -0.000 0.000 0.286 361 V C -0.681 175.416 176.094 0.006 0.000 1.034 361 V CA -0.364 61.940 62.300 0.007 0.000 0.893 361 V CB 1.202 33.020 31.823 -0.008 0.000 0.982 361 V HN 0.765 nan 8.190 nan 0.000 0.452 362 L N 5.297 126.531 121.223 0.017 0.000 2.298 362 L HA 0.858 5.198 4.340 -0.000 0.000 0.284 362 L C 0.107 177.027 176.870 0.085 0.000 1.013 362 L CA -0.026 54.844 54.840 0.050 0.000 0.824 362 L CB 1.034 43.112 42.059 0.033 0.000 1.221 362 L HN 0.741 nan 8.230 nan 0.000 0.418 363 A N 3.335 126.208 122.820 0.088 0.000 2.337 363 A HA 0.752 5.072 4.320 -0.000 0.000 0.329 363 A C -0.521 177.130 177.584 0.111 0.000 1.146 363 A CA -0.487 51.585 52.037 0.059 0.000 0.800 363 A CB 1.387 20.352 19.000 -0.059 0.000 1.220 363 A HN 0.668 nan 8.150 nan 0.000 0.472 364 S N 0.270 116.006 115.700 0.060 0.000 2.508 364 S HA 0.361 4.830 4.470 -0.000 0.000 0.284 364 S C 1.149 175.714 174.600 -0.058 0.000 1.192 364 S CA -0.558 57.586 58.200 -0.093 0.000 1.070 364 S CB 0.968 64.182 63.200 0.022 0.000 1.004 364 S HN 0.738 nan 8.310 nan 0.000 0.493 365 R N 3.217 123.669 120.500 -0.080 0.000 2.152 365 R HA 0.079 4.419 4.340 -0.000 0.000 0.232 365 R C 1.341 177.688 176.300 0.080 0.000 1.117 365 R CA 1.447 57.571 56.100 0.039 0.000 0.981 365 R CB -0.845 29.503 30.300 0.079 0.000 0.870 365 R HN 0.643 nan 8.270 nan 0.000 0.451 366 L N -0.652 120.623 121.223 0.087 0.000 2.478 366 L HA 0.281 4.621 4.340 -0.000 0.000 0.223 366 L C 0.571 177.425 176.870 -0.028 0.000 1.140 366 L CA 1.312 56.121 54.840 -0.050 0.000 0.842 366 L CB -0.433 41.498 42.059 -0.212 0.000 0.953 366 L HN 0.456 nan 8.230 nan 0.000 0.452 367 G N -1.893 106.906 108.800 -0.001 0.000 2.770 367 G HA2 0.477 4.437 3.960 -0.000 0.000 0.686 367 G HA3 0.477 4.437 3.960 -0.000 0.000 0.686 367 G C -0.099 174.808 174.900 0.013 0.000 1.180 367 G CA -0.477 44.624 45.100 0.002 0.000 0.767 367 G HN 0.732 nan 8.290 nan 0.000 0.646 368 G N 0.567 109.377 108.800 0.015 0.000 2.784 368 G HA2 0.617 4.577 3.960 -0.000 0.000 0.686 368 G HA3 0.617 4.577 3.960 -0.000 0.000 0.686 368 G C -0.501 174.423 174.900 0.039 0.000 1.156 368 G CA 0.332 45.448 45.100 0.027 0.000 0.757 368 G HN 2.396 nan 8.290 nan 0.000 0.642 369 K N -0.088 120.332 120.400 0.033 0.000 2.579 369 K HA 0.869 5.189 4.320 -0.000 0.000 0.284 369 K C -0.651 175.966 176.600 0.029 0.000 0.990 369 K CA -0.685 55.623 56.287 0.035 0.000 0.880 369 K CB 2.369 34.868 32.500 -0.001 0.000 1.488 369 K HN 1.319 nan 8.250 nan 0.000 0.425 370 E N 0.080 120.297 120.200 0.029 0.000 2.396 370 E HA 0.228 4.578 4.350 -0.000 0.000 0.280 370 E C -1.530 175.080 176.600 0.015 0.000 1.065 370 E CA -1.043 55.370 56.400 0.021 0.000 0.831 370 E CB 1.731 31.446 29.700 0.026 0.000 1.272 370 E HN 0.447 nan 8.360 nan 0.000 0.443 371 T N 2.431 116.992 114.554 0.012 0.000 2.749 371 T HA 0.427 4.777 4.350 -0.000 0.000 0.295 371 T C -0.217 174.487 174.700 0.007 0.000 0.936 371 T CA -0.210 61.896 62.100 0.010 0.000 1.060 371 T CB -0.050 68.825 68.868 0.011 0.000 0.904 371 T HN 0.267 nan 8.240 nan 0.000 0.500 372 L N 5.363 126.587 121.223 0.002 0.000 2.323 372 L HA 0.569 4.909 4.340 -0.000 0.000 0.265 372 L C -2.150 174.717 176.870 -0.005 0.000 1.012 372 L CA -2.900 51.938 54.840 -0.004 0.000 0.820 372 L CB 2.425 44.475 42.059 -0.014 0.000 1.334 372 L HN 0.339 nan 8.230 nan 0.000 0.427 373 P HA 0.120 nan 4.420 nan 0.000 0.276 373 P C 0.590 177.883 177.300 -0.012 0.000 1.230 373 P CA -0.257 62.839 63.100 -0.007 0.000 0.776 373 P CB 1.173 32.868 31.700 -0.008 0.000 0.888 374 L N 2.638 123.856 121.223 -0.008 0.000 2.187 374 L HA -0.200 4.140 4.340 -0.000 0.000 0.213 374 L C 2.454 179.313 176.870 -0.018 0.000 1.100 374 L CA 1.858 56.691 54.840 -0.012 0.000 0.765 374 L CB -0.721 41.335 42.059 -0.005 0.000 0.904 374 L HN 0.410 nan 8.230 nan 0.000 0.437 375 A N -0.661 122.150 122.820 -0.016 0.000 2.119 375 A HA 0.107 4.427 4.320 -0.000 0.000 0.216 375 A C 2.362 179.931 177.584 -0.024 0.000 1.152 375 A CA 1.168 53.194 52.037 -0.018 0.000 0.708 375 A CB -0.331 18.661 19.000 -0.014 0.000 0.805 375 A HN 0.363 nan 8.150 nan 0.000 0.460 376 A N -0.936 121.868 122.820 -0.026 0.000 2.081 376 A HA 0.278 4.598 4.320 -0.000 0.000 0.214 376 A C 1.799 179.355 177.584 -0.047 0.000 1.158 376 A CA 0.671 52.688 52.037 -0.032 0.000 0.724 376 A CB -0.324 18.660 19.000 -0.028 0.000 0.826 376 A HN 0.330 nan 8.150 nan 0.000 0.463 377 L N 0.373 121.566 121.223 -0.051 0.000 2.013 377 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 377 L C -0.580 176.240 176.870 -0.085 0.000 1.073 377 L CA 2.371 57.166 54.840 -0.074 0.000 0.753 377 L CB -1.489 40.531 42.059 -0.066 0.000 0.890 377 L HN 0.180 nan 8.230 nan 0.000 0.432 378 P HA -0.187 nan 4.420 nan 0.000 0.218 378 P C 1.525 178.787 177.300 -0.063 0.000 1.148 378 P CA 1.235 64.298 63.100 -0.062 0.000 0.822 378 P CB 0.051 31.724 31.700 -0.045 0.000 0.784 379 E N -0.221 119.945 120.200 -0.057 0.000 2.170 379 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 379 E C 1.763 178.325 176.600 -0.063 0.000 0.981 379 E CA 1.010 57.379 56.400 -0.051 0.000 0.830 379 E CB -0.324 29.352 29.700 -0.039 0.000 0.775 379 E HN 0.063 nan 8.360 nan 0.000 0.470 380 A N 1.370 124.143 122.820 -0.077 0.000 1.930 380 A HA 0.028 4.348 4.320 -0.000 0.000 0.215 380 A C 2.388 179.887 177.584 -0.141 0.000 1.176 380 A CA 0.507 52.488 52.037 -0.093 0.000 0.632 380 A CB -0.567 18.378 19.000 -0.092 0.000 0.819 380 A HN 0.262 nan 8.150 nan 0.000 0.445 381 L N -0.326 120.786 121.223 -0.184 0.000 2.013 381 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 381 L C -0.425 176.324 176.870 -0.201 0.000 1.073 381 L CA 1.804 56.477 54.840 -0.278 0.000 0.753 381 L CB -1.411 40.484 42.059 -0.272 0.000 0.890 381 L HN 0.226 nan 8.230 nan 0.000 0.432 382 P HA -0.198 nan 4.420 nan 0.000 0.216 382 P C 1.522 178.789 177.300 -0.054 0.000 1.157 382 P CA 1.993 65.046 63.100 -0.079 0.000 0.880 382 P CB -0.233 31.429 31.700 -0.062 0.000 0.791 383 G N -0.209 108.560 108.800 -0.052 0.000 2.418 383 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 383 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 383 G C 1.469 176.378 174.900 0.014 0.000 1.158 383 G CA 0.715 45.804 45.100 -0.017 0.000 0.771 383 G HN 0.273 nan 8.290 nan 0.000 0.545 384 K N -0.389 119.989 120.400 -0.038 0.000 2.147 384 K HA 0.036 4.356 4.320 -0.000 0.000 0.205 384 K C 2.369 179.106 176.600 0.228 0.000 1.049 384 K CA 0.414 56.716 56.287 0.024 0.000 0.936 384 K CB -0.192 32.151 32.500 -0.262 0.000 0.722 384 K HN 0.138 nan 8.250 nan 0.000 0.446 385 L N 1.838 123.134 121.223 0.122 0.000 2.017 385 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 385 L C 1.771 178.804 176.870 0.272 0.000 1.073 385 L CA 1.846 56.842 54.840 0.260 0.000 0.745 385 L CB -1.040 41.070 42.059 0.085 0.000 0.894 385 L HN 0.187 nan 8.230 nan 0.000 0.432 386 D N -0.342 120.148 120.400 0.151 0.000 2.123 386 D HA -0.145 4.495 4.640 -0.000 0.000 0.196 386 D C 2.169 178.596 176.300 0.211 0.000 0.992 386 D CA 1.483 55.565 54.000 0.136 0.000 0.833 386 D CB 0.123 40.955 40.800 0.052 0.000 0.954 386 D HN 0.304 nan 8.370 nan 0.000 0.455 387 A N 0.012 122.954 122.820 0.203 0.000 1.969 387 A HA -0.126 4.193 4.320 -0.000 0.000 0.218 387 A C 2.087 179.799 177.584 0.213 0.000 1.169 387 A CA 0.692 52.839 52.037 0.183 0.000 0.635 387 A CB -0.872 18.226 19.000 0.163 0.000 0.810 387 A HN 0.226 nan 8.150 nan 0.000 0.445 388 F N 0.113 120.157 119.950 0.156 0.000 2.102 388 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 388 F C 2.263 178.091 175.800 0.048 0.000 1.105 388 F CA 2.379 60.433 58.000 0.090 0.000 1.239 388 F CB -0.444 38.625 39.000 0.114 0.000 0.991 388 F HN 0.521 nan 8.300 nan 0.000 0.474 389 H N 0.182 119.405 119.070 0.254 0.000 2.253 389 H HA -0.173 4.382 4.556 -0.000 0.000 0.296 389 H C 2.227 177.583 175.328 0.047 0.000 1.074 389 H CA 2.403 58.520 56.048 0.115 0.000 1.263 389 H CB -0.440 29.365 29.762 0.072 0.000 1.363 389 H HN 0.147 nan 8.280 nan 0.000 0.489 390 E N 0.066 120.300 120.200 0.058 0.000 2.114 390 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 390 E C 2.271 178.859 176.600 -0.021 0.000 1.008 390 E CA 1.593 58.009 56.400 0.027 0.000 0.810 390 E CB -0.294 29.472 29.700 0.110 0.000 0.739 390 E HN 0.608 nan 8.360 nan 0.000 0.456 391 E N 0.771 120.929 120.200 -0.070 0.000 2.072 391 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 391 E C 2.258 178.757 176.600 -0.168 0.000 0.985 391 E CA 0.642 56.969 56.400 -0.121 0.000 0.801 391 E CB -0.365 29.227 29.700 -0.179 0.000 0.750 391 E HN 0.203 nan 8.360 nan 0.000 0.452 392 L N -0.277 120.784 121.223 -0.269 0.000 2.043 392 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 392 L C 2.366 179.201 176.870 -0.058 0.000 1.075 392 L CA 1.632 56.300 54.840 -0.285 0.000 0.752 392 L CB -0.595 41.147 42.059 -0.527 0.000 0.891 392 L HN 0.267 nan 8.230 nan 0.000 0.432 393 Y N 0.535 120.708 120.300 -0.213 0.000 2.163 393 Y HA -0.206 4.344 4.550 -0.000 0.000 0.288 393 Y C 2.880 178.755 175.900 -0.041 0.000 1.136 393 Y CA 1.417 59.451 58.100 -0.110 0.000 1.147 393 Y CB -0.298 38.043 38.460 -0.198 0.000 0.987 393 Y HN -0.014 nan 8.280 nan 0.000 0.509 394 R N 0.273 120.738 120.500 -0.058 0.000 2.083 394 R HA -0.198 4.142 4.340 -0.000 0.000 0.237 394 R C 2.358 178.602 176.300 -0.094 0.000 1.137 394 R CA 1.960 58.000 56.100 -0.099 0.000 0.951 394 R CB -0.191 30.087 30.300 -0.037 0.000 0.851 394 R HN 0.336 nan 8.270 nan 0.000 0.434 395 R N -0.269 120.195 120.500 -0.060 0.000 2.091 395 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 395 R C 2.314 178.618 176.300 0.005 0.000 1.136 395 R CA 1.454 57.540 56.100 -0.024 0.000 0.959 395 R CB -0.366 29.915 30.300 -0.033 0.000 0.856 395 R HN 0.267 nan 8.270 nan 0.000 0.437 396 A N 1.038 123.845 122.820 -0.021 0.000 1.969 396 A HA -0.079 4.240 4.320 -0.000 0.000 0.218 396 A C 2.148 179.717 177.584 -0.024 0.000 1.169 396 A CA 0.957 52.983 52.037 -0.018 0.000 0.635 396 A CB -0.357 18.642 19.000 -0.002 0.000 0.810 396 A HN 0.178 nan 8.150 nan 0.000 0.445 397 L N -0.994 120.137 121.223 -0.154 0.000 2.072 397 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 397 L C 3.107 179.957 176.870 -0.034 0.000 1.079 397 L CA 0.922 55.667 54.840 -0.158 0.000 0.752 397 L CB -0.464 41.420 42.059 -0.293 0.000 0.906 397 L HN 0.448 nan 8.230 nan 0.000 0.436 398 A N -0.010 122.802 122.820 -0.014 0.000 1.858 398 A HA -0.302 4.018 4.320 -0.000 0.000 0.216 398 A C 2.171 179.799 177.584 0.073 0.000 1.190 398 A CA 1.734 53.782 52.037 0.019 0.000 0.617 398 A CB -1.024 17.988 19.000 0.020 0.000 0.827 398 A HN 0.408 nan 8.150 nan 0.000 0.443 399 F N 0.527 120.463 119.950 -0.023 0.000 2.120 399 F HA -0.241 4.286 4.527 -0.000 0.000 0.300 399 F C 2.410 178.248 175.800 0.063 0.000 1.095 399 F CA 2.320 60.328 58.000 0.014 0.000 1.249 399 F CB -0.177 38.764 39.000 -0.098 0.000 0.995 399 F HN 0.215 nan 8.300 nan 0.000 0.480 400 R N 0.378 120.996 120.500 0.196 0.000 2.081 400 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 400 R C 2.374 178.703 176.300 0.048 0.000 1.131 400 R CA 1.870 58.048 56.100 0.131 0.000 0.960 400 R CB -0.531 29.873 30.300 0.174 0.000 0.856 400 R HN 0.470 nan 8.270 nan 0.000 0.436 401 E N 0.094 120.305 120.200 0.019 0.000 2.058 401 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 401 E C 1.106 177.663 176.600 -0.071 0.000 0.997 401 E CA 1.731 58.122 56.400 -0.014 0.000 0.801 401 E CB 0.026 29.712 29.700 -0.022 0.000 0.746 401 E HN 0.351 nan 8.360 nan 0.000 0.450 402 D N -0.728 119.601 120.400 -0.118 0.000 2.310 402 D HA -0.089 4.551 4.640 -0.000 0.000 0.212 402 D C 0.516 176.528 176.300 -0.480 0.000 0.965 402 D CA 0.921 54.769 54.000 -0.253 0.000 0.879 402 D CB 0.015 40.668 40.800 -0.244 0.000 0.921 402 D HN 0.348 nan 8.370 nan 0.000 0.510 403 H N -0.551 118.299 119.070 -0.366 0.000 2.481 403 H HA 0.268 4.824 4.556 -0.000 0.000 0.273 403 H C -0.250 174.970 175.328 -0.180 0.000 1.145 403 H CA 0.042 55.865 56.048 -0.376 0.000 0.964 403 H CB 0.493 29.844 29.762 -0.685 0.000 1.722 403 H HN -0.131 nan 8.280 nan 0.000 0.573 404 T N 1.195 115.730 114.554 -0.030 0.000 2.886 404 T HA 0.449 4.799 4.350 -0.000 0.000 0.292 404 T C -0.212 174.481 174.700 -0.011 0.000 1.012 404 T CA -0.719 61.422 62.100 0.068 0.000 0.982 404 T CB 2.611 71.553 68.868 0.122 0.000 1.018 404 T HN 0.306 nan 8.240 nan 0.000 0.451 405 R N 1.775 122.273 120.500 -0.004 0.000 2.548 405 R HA 0.372 4.712 4.340 -0.000 0.000 0.280 405 R C -1.163 175.127 176.300 -0.016 0.000 1.061 405 R CA -0.775 55.306 56.100 -0.032 0.000 0.915 405 R CB 1.278 31.540 30.300 -0.064 0.000 1.210 405 R HN 0.484 nan 8.270 nan 0.000 0.442 406 K N 3.121 123.514 120.400 -0.012 0.000 2.276 406 K HA 0.261 4.581 4.320 -0.000 0.000 0.283 406 K C -0.293 176.321 176.600 0.024 0.000 1.044 406 K CA -0.435 55.850 56.287 -0.003 0.000 0.944 406 K CB 1.432 33.930 32.500 -0.003 0.000 1.012 406 K HN 0.412 nan 8.250 nan 0.000 0.472 407 V N -0.499 119.446 119.914 0.053 0.000 2.735 407 V HA 0.373 4.493 4.120 -0.000 0.000 0.310 407 V C -0.271 175.919 176.094 0.159 0.000 1.061 407 V CA -0.675 61.684 62.300 0.098 0.000 0.913 407 V CB 2.026 33.921 31.823 0.121 0.000 1.005 407 V HN 0.710 nan 8.190 nan 0.000 0.428 408 D N 1.602 122.100 120.400 0.163 0.000 2.479 408 D HA 0.128 4.768 4.640 -0.000 0.000 0.221 408 D C 0.818 177.223 176.300 0.174 0.000 1.104 408 D CA 1.136 55.258 54.000 0.203 0.000 0.849 408 D CB 1.417 42.324 40.800 0.178 0.000 1.072 408 D HN 0.869 nan 8.370 nan 0.000 0.502 409 T N -2.368 112.279 114.554 0.155 0.000 2.863 409 T HA 0.177 4.527 4.350 -0.000 0.000 0.285 409 T C 0.691 175.513 174.700 0.204 0.000 1.009 409 T CA -0.706 61.483 62.100 0.150 0.000 0.989 409 T CB 1.986 70.917 68.868 0.105 0.000 1.004 409 T HN -0.177 nan 8.240 nan 0.000 0.455 410 Y N 1.409 121.726 120.300 0.029 0.000 2.403 410 Y HA -0.038 4.511 4.550 -0.000 0.000 0.291 410 Y C 2.253 178.207 175.900 0.091 0.000 1.143 410 Y CA 1.772 59.874 58.100 0.003 0.000 1.257 410 Y CB -0.105 38.312 38.460 -0.071 0.000 0.984 410 Y HN 0.956 nan 8.280 nan 0.000 0.550 411 E N -0.517 119.731 120.200 0.081 0.000 2.046 411 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 411 E C 2.335 178.938 176.600 0.004 0.000 0.982 411 E CA 0.997 57.400 56.400 0.005 0.000 0.800 411 E CB -0.218 29.500 29.700 0.029 0.000 0.756 411 E HN 0.421 nan 8.360 nan 0.000 0.449 412 A N 0.958 123.807 122.820 0.049 0.000 1.877 412 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 412 A C 2.050 179.654 177.584 0.033 0.000 1.186 412 A CA 1.480 53.538 52.037 0.035 0.000 0.620 412 A CB -1.080 17.955 19.000 0.057 0.000 0.822 412 A HN 0.537 nan 8.150 nan 0.000 0.443 413 F N 1.009 120.908 119.950 -0.086 0.000 2.091 413 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 413 F C 2.178 177.870 175.800 -0.181 0.000 1.103 413 F CA 2.390 60.316 58.000 -0.124 0.000 1.228 413 F CB -0.232 38.700 39.000 -0.114 0.000 0.984 413 F HN 0.140 nan 8.300 nan 0.000 0.477 414 K N 0.047 120.471 120.400 0.040 0.000 2.103 414 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 414 K C 2.000 178.526 176.600 -0.123 0.000 1.048 414 K CA 1.984 58.221 56.287 -0.083 0.000 0.930 414 K CB -0.331 32.076 32.500 -0.155 0.000 0.716 414 K HN 0.500 nan 8.250 nan 0.000 0.444 415 E N 0.520 120.658 120.200 -0.104 0.000 2.015 415 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 415 E C 2.172 178.689 176.600 -0.138 0.000 0.991 415 E CA 0.900 57.239 56.400 -0.101 0.000 0.802 415 E CB -0.157 29.499 29.700 -0.073 0.000 0.759 415 E HN 0.289 nan 8.360 nan 0.000 0.447 416 A N 1.597 124.319 122.820 -0.165 0.000 1.884 416 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 416 A C 2.536 179.987 177.584 -0.222 0.000 1.197 416 A CA 2.183 54.107 52.037 -0.188 0.000 0.637 416 A CB -1.287 17.594 19.000 -0.198 0.000 0.827 416 A HN 0.265 nan 8.150 nan 0.000 0.450 417 V N -2.785 116.927 119.914 -0.338 0.000 3.330 417 V HA -0.134 3.986 4.120 -0.000 0.000 0.273 417 V C 1.828 177.818 176.094 -0.174 0.000 1.179 417 V CA 2.337 64.466 62.300 -0.286 0.000 1.174 417 V CB -0.885 30.705 31.823 -0.388 0.000 0.794 417 V HN 0.507 nan 8.190 nan 0.000 0.527 418 Q N -0.284 119.426 119.800 -0.149 0.000 2.402 418 Q HA 0.119 4.459 4.340 -0.000 0.000 0.206 418 Q C 2.062 178.003 176.000 -0.099 0.000 0.919 418 Q CA 0.808 56.545 55.803 -0.109 0.000 0.923 418 Q CB 0.238 28.921 28.738 -0.092 0.000 1.048 418 Q HN 0.682 nan 8.270 nan 0.000 0.515 419 E N -1.947 118.191 120.200 -0.104 0.000 2.364 419 E HA 0.310 4.660 4.350 -0.000 0.000 0.203 419 E C 0.614 177.194 176.600 -0.034 0.000 0.888 419 E CA 0.865 57.230 56.400 -0.058 0.000 0.989 419 E CB 1.327 30.968 29.700 -0.099 0.000 0.985 419 E HN 0.249 nan 8.360 nan 0.000 0.499 420 G N -0.002 108.732 108.800 -0.110 0.000 2.623 420 G HA2 0.185 4.145 3.960 -0.000 0.000 0.085 420 G HA3 0.185 4.145 3.960 -0.000 0.000 0.085 420 G C -1.197 173.606 174.900 -0.161 0.000 1.116 420 G CA -0.872 44.118 45.100 -0.184 0.000 1.200 420 G HN 0.034 nan 8.290 nan 0.000 0.556 421 F N 1.912 121.833 119.950 -0.048 0.000 2.389 421 F HA 0.561 5.088 4.527 -0.000 0.000 0.337 421 F C 0.824 176.573 175.800 -0.085 0.000 1.112 421 F CA 0.091 58.062 58.000 -0.049 0.000 1.192 421 F CB 1.760 40.745 39.000 -0.026 0.000 1.185 421 F HN 0.518 nan 8.300 nan 0.000 0.552 422 A N 4.279 127.193 122.820 0.156 0.000 2.340 422 A HA 0.599 4.919 4.320 -0.000 0.000 0.297 422 A C -1.334 176.313 177.584 0.105 0.000 1.195 422 A CA -0.650 51.384 52.037 -0.005 0.000 0.769 422 A CB 0.548 19.347 19.000 -0.335 0.000 1.163 422 A HN 0.535 nan 8.150 nan 0.000 0.472 423 L N 2.652 123.906 121.223 0.053 0.000 2.356 423 L HA 0.555 4.895 4.340 -0.000 0.000 0.282 423 L C 0.676 177.554 176.870 0.012 0.000 1.132 423 L CA 0.174 55.031 54.840 0.028 0.000 0.923 423 L CB -0.267 41.764 42.059 -0.047 0.000 1.278 423 L HN 0.747 nan 8.230 nan 0.000 0.436 424 A N 2.620 125.507 122.820 0.112 0.000 2.356 424 A HA 0.808 5.128 4.320 -0.000 0.000 0.323 424 A C -0.621 177.025 177.584 0.104 0.000 1.119 424 A CA -0.516 51.567 52.037 0.077 0.000 0.790 424 A CB 0.707 19.751 19.000 0.073 0.000 1.273 424 A HN 0.286 nan 8.150 nan 0.000 0.452 425 F N 0.976 121.042 119.950 0.194 0.000 2.382 425 F HA 0.400 4.927 4.527 -0.000 0.000 0.331 425 F C 0.947 176.931 175.800 0.307 0.000 1.121 425 F CA 0.924 59.054 58.000 0.216 0.000 1.183 425 F CB 0.813 39.879 39.000 0.110 0.000 1.207 425 F HN 0.596 nan 8.300 nan 0.000 0.555 426 H N 1.326 120.650 119.070 0.424 0.000 2.954 426 H HA 0.170 4.725 4.556 -0.000 0.000 0.361 426 H C 0.542 175.989 175.328 0.199 0.000 1.122 426 H CA -0.854 55.395 56.048 0.335 0.000 1.217 426 H CB 1.915 31.995 29.762 0.531 0.000 1.776 426 H HN 0.910 nan 8.280 nan 0.000 0.533 427 C N 2.308 121.406 119.300 -0.336 0.000 2.376 427 C HA 0.080 4.540 4.460 -0.000 0.000 0.275 427 C C 1.786 176.616 174.990 -0.267 0.000 1.200 427 C CA 1.284 60.142 59.018 -0.267 0.000 1.756 427 C CB -1.242 26.337 27.740 -0.269 0.000 2.050 427 C HN 1.027 nan 8.230 nan 0.000 0.460 428 G N 0.106 108.748 108.800 -0.262 0.000 2.367 428 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.181 428 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.181 428 G C -0.353 174.558 174.900 0.019 0.000 1.000 428 G CA 0.316 45.343 45.100 -0.123 0.000 0.693 428 G HN 0.684 nan 8.290 nan 0.000 0.480 429 D N 1.082 121.453 120.400 -0.047 0.000 2.390 429 D HA 0.365 5.005 4.640 -0.000 0.000 0.249 429 D C 1.525 177.901 176.300 0.126 0.000 1.144 429 D CA 0.004 54.016 54.000 0.021 0.000 0.880 429 D CB 0.853 41.638 40.800 -0.026 0.000 1.182 429 D HN 0.306 nan 8.370 nan 0.000 0.451 430 K N 2.615 123.088 120.400 0.122 0.000 2.155 430 K HA -0.061 4.258 4.320 -0.000 0.000 0.203 430 K C 1.736 178.413 176.600 0.127 0.000 1.052 430 K CA 0.958 57.331 56.287 0.143 0.000 0.948 430 K CB 0.049 32.614 32.500 0.108 0.000 0.728 430 K HN 0.469 nan 8.250 nan 0.000 0.448 431 A N 1.060 123.934 122.820 0.090 0.000 1.873 431 A HA -0.203 4.117 4.320 -0.000 0.000 0.215 431 A C 2.390 180.026 177.584 0.086 0.000 1.186 431 A CA 1.530 53.610 52.037 0.072 0.000 0.616 431 A CB -1.084 17.941 19.000 0.042 0.000 0.823 431 A HN 0.506 nan 8.150 nan 0.000 0.442 432 C N -0.365 118.990 119.300 0.092 0.000 2.440 432 C HA -0.062 4.398 4.460 -0.000 0.000 0.278 432 C C 2.593 177.733 174.990 0.250 0.000 1.295 432 C CA 1.476 60.558 59.018 0.107 0.000 1.738 432 C CB -1.133 26.620 27.740 0.021 0.000 1.987 432 C HN 0.743 nan 8.230 nan 0.000 0.492 433 E N 0.016 120.437 120.200 0.368 0.000 2.106 433 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 433 E C 2.465 179.182 176.600 0.194 0.000 0.984 433 E CA 0.905 57.502 56.400 0.328 0.000 0.806 433 E CB -0.291 29.598 29.700 0.316 0.000 0.750 433 E HN 0.606 nan 8.360 nan 0.000 0.458 434 R N 0.015 120.610 120.500 0.158 0.000 2.092 434 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 434 R C 2.365 178.732 176.300 0.111 0.000 1.119 434 R CA 0.671 56.842 56.100 0.119 0.000 0.970 434 R CB -0.015 30.342 30.300 0.096 0.000 0.864 434 R HN 0.246 nan 8.270 nan 0.000 0.440 435 L N 0.834 122.119 121.223 0.103 0.000 2.005 435 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 435 L C 2.298 179.234 176.870 0.110 0.000 1.072 435 L CA 1.675 56.564 54.840 0.081 0.000 0.744 435 L CB -0.879 41.203 42.059 0.038 0.000 0.895 435 L HN 0.286 nan 8.230 nan 0.000 0.433 436 I N -0.374 120.269 120.570 0.123 0.000 2.145 436 I HA -0.424 3.746 4.170 -0.000 0.000 0.244 436 I C 2.663 178.920 176.117 0.234 0.000 1.075 436 I CA 1.716 63.127 61.300 0.185 0.000 1.332 436 I CB -0.367 37.728 38.000 0.158 0.000 1.033 436 I HN 0.448 nan 8.210 nan 0.000 0.410 437 Q N 1.028 120.949 119.800 0.203 0.000 2.119 437 Q HA -0.234 4.106 4.340 -0.000 0.000 0.201 437 Q C 2.002 178.084 176.000 0.137 0.000 0.972 437 Q CA 1.578 57.487 55.803 0.177 0.000 0.847 437 Q CB 0.049 28.873 28.738 0.144 0.000 0.903 437 Q HN 0.526 nan 8.270 nan 0.000 0.433 438 E N 0.094 120.367 120.200 0.121 0.000 2.106 438 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 438 E C 1.835 178.496 176.600 0.102 0.000 0.984 438 E CA 1.387 57.845 56.400 0.096 0.000 0.806 438 E CB 0.134 29.883 29.700 0.081 0.000 0.750 438 E HN 0.459 nan 8.360 nan 0.000 0.458 439 E N -0.319 119.961 120.200 0.133 0.000 2.021 439 E HA -0.091 4.259 4.350 -0.000 0.000 0.189 439 E C 2.103 178.782 176.600 0.130 0.000 0.980 439 E CA 1.594 58.080 56.400 0.142 0.000 0.803 439 E CB 0.051 29.879 29.700 0.213 0.000 0.766 439 E HN 0.232 nan 8.360 nan 0.000 0.449 440 T N -1.875 112.783 114.554 0.174 0.000 3.086 440 T HA -0.010 4.339 4.350 -0.000 0.000 0.250 440 T C 1.257 176.037 174.700 0.133 0.000 1.074 440 T CA 0.795 62.986 62.100 0.151 0.000 0.988 440 T CB -0.069 68.952 68.868 0.256 0.000 0.988 440 T HN 0.318 nan 8.240 nan 0.000 0.530 441 T N -1.374 113.258 114.554 0.130 0.000 8.089 441 T HA -0.261 4.088 4.350 -0.000 0.000 0.315 441 T C 0.492 175.260 174.700 0.114 0.000 2.025 441 T CA 0.905 63.063 62.100 0.097 0.000 3.021 441 T CB -2.535 66.361 68.868 0.047 0.000 2.356 441 T HN 1.472 nan 8.240 nan 0.000 1.220 442 A N 1.182 124.117 122.820 0.191 0.000 2.332 442 A HA 0.701 5.021 4.320 -0.000 0.000 0.258 442 A C 0.811 178.559 177.584 0.272 0.000 1.087 442 A CA 0.276 52.453 52.037 0.233 0.000 0.802 442 A CB 0.664 19.872 19.000 0.346 0.000 1.042 442 A HN 1.554 nan 8.150 nan 0.000 0.489 443 T N -1.710 112.971 114.554 0.212 0.000 2.887 443 T HA 0.688 5.038 4.350 -0.000 0.000 0.292 443 T C -0.159 174.498 174.700 -0.072 0.000 1.087 443 T CA -0.141 62.023 62.100 0.106 0.000 1.009 443 T CB 0.994 69.892 68.868 0.050 0.000 1.203 443 T HN 0.981 nan 8.240 nan 0.000 0.518 444 T N 0.514 114.882 114.554 -0.309 0.000 2.817 444 T HA 0.449 4.799 4.350 -0.000 0.000 0.293 444 T C 0.831 175.352 174.700 -0.299 0.000 0.964 444 T CA -1.009 60.701 62.100 -0.651 0.000 1.085 444 T CB 1.175 69.632 68.868 -0.684 0.000 0.921 444 T HN 0.511 nan 8.240 nan 0.000 0.502 445 R N 1.375 121.715 120.500 -0.265 0.000 2.087 445 R HA 0.305 4.645 4.340 -0.000 0.000 0.216 445 R C 1.080 177.277 176.300 -0.172 0.000 1.114 445 R CA 0.584 56.609 56.100 -0.125 0.000 1.002 445 R CB -1.137 29.141 30.300 -0.037 0.000 0.903 445 R HN 0.959 nan 8.270 nan 0.000 0.445 446 C N -3.647 115.495 119.300 -0.263 0.000 3.253 446 C HA 0.507 4.966 4.460 -0.000 0.000 0.342 446 C C -0.671 174.115 174.990 -0.339 0.000 1.306 446 C CA -1.167 57.682 59.018 -0.282 0.000 1.207 446 C CB 1.099 28.674 27.740 -0.276 0.000 1.479 446 C HN -0.025 nan 8.230 nan 0.000 0.469 447 V N 3.261 122.961 119.914 -0.357 0.000 2.240 447 V HA 0.372 4.491 4.120 -0.000 0.000 0.265 447 V C -1.804 174.104 176.094 -0.310 0.000 1.073 447 V CA -0.911 61.182 62.300 -0.346 0.000 0.857 447 V CB 0.616 32.179 31.823 -0.433 0.000 1.114 447 V HN 0.861 nan 8.190 nan 0.000 0.469 448 P HA -0.073 nan 4.420 nan 0.000 0.263 448 P C 0.861 178.063 177.300 -0.163 0.000 1.162 448 P CA 0.601 63.517 63.100 -0.306 0.000 0.758 448 P CB 0.677 32.251 31.700 -0.211 0.000 0.773 449 F N 0.975 120.890 119.950 -0.059 0.000 2.051 449 F HA -0.146 4.381 4.527 -0.000 0.000 0.296 449 F C 1.506 177.285 175.800 -0.035 0.000 1.122 449 F CA 1.067 59.038 58.000 -0.048 0.000 1.201 449 F CB -0.203 38.774 39.000 -0.040 0.000 0.978 449 F HN 0.276 nan 8.300 nan 0.000 0.472 450 E N 0.372 120.677 120.200 0.175 0.000 2.035 450 E HA 0.549 4.898 4.350 -0.000 0.000 0.271 450 E C -0.858 175.761 176.600 0.032 0.000 0.953 450 E CA -0.313 56.140 56.400 0.088 0.000 0.777 450 E CB 1.228 30.977 29.700 0.083 0.000 1.104 450 E HN 0.215 nan 8.360 nan 0.000 0.408 451 A N 3.402 126.234 122.820 0.021 0.000 2.517 451 A HA 0.295 4.614 4.320 -0.000 0.000 0.297 451 A C -0.603 176.985 177.584 0.007 0.000 1.050 451 A CA -0.826 51.207 52.037 -0.007 0.000 0.694 451 A CB 1.081 20.059 19.000 -0.037 0.000 1.277 451 A HN 0.623 nan 8.150 nan 0.000 0.400 452 E N 3.608 123.809 120.200 0.002 0.000 2.820 452 E HA 0.048 4.398 4.350 -0.000 0.000 0.251 452 E C -1.832 174.786 176.600 0.030 0.000 0.944 452 E CA -0.787 55.622 56.400 0.016 0.000 0.955 452 E CB 0.384 30.091 29.700 0.012 0.000 0.904 452 E HN 0.372 nan 8.360 nan 0.000 0.513 453 P HA 0.060 nan 4.420 nan 0.000 0.271 453 P C -1.108 176.248 177.300 0.093 0.000 1.233 453 P CA 0.475 63.614 63.100 0.065 0.000 0.764 453 P CB 0.732 32.465 31.700 0.054 0.000 0.825 454 E N 1.614 121.903 120.200 0.148 0.000 2.383 454 E HA 0.448 4.797 4.350 -0.000 0.000 0.275 454 E C -1.125 175.683 176.600 0.347 0.000 0.918 454 E CA -0.673 55.882 56.400 0.259 0.000 0.764 454 E CB 1.779 31.689 29.700 0.350 0.000 1.252 454 E HN 0.309 nan 8.360 nan 0.000 0.449 455 E N -0.039 120.267 120.200 0.176 0.000 2.238 455 E HA 0.747 5.097 4.350 -0.000 0.000 0.267 455 E C -0.610 175.614 176.600 -0.627 0.000 0.887 455 E CA -0.351 55.987 56.400 -0.104 0.000 0.769 455 E CB 1.999 31.617 29.700 -0.137 0.000 1.187 455 E HN 0.625 nan 8.360 nan 0.000 0.416 456 G N 1.034 109.162 108.800 -1.120 0.000 2.562 456 G HA2 0.447 4.407 3.960 -0.000 0.000 0.190 456 G HA3 0.447 4.407 3.960 -0.000 0.000 0.190 456 G C -1.636 172.361 174.900 -1.505 0.000 1.196 456 G CA -0.613 43.529 45.100 -1.598 0.000 0.986 456 G HN 0.234 nan 8.290 nan 0.000 0.512 457 F N 0.260 119.895 119.950 -0.525 0.000 2.547 457 F HA 0.489 5.016 4.527 -0.000 0.000 0.316 457 F C 0.715 176.495 175.800 -0.034 0.000 1.121 457 F CA -0.875 57.007 58.000 -0.196 0.000 0.911 457 F CB 1.788 40.701 39.000 -0.146 0.000 1.179 457 F HN 0.548 nan 8.300 nan 0.000 0.443 458 C N 4.018 123.400 119.300 0.137 0.000 2.271 458 C HA -0.029 4.431 4.460 -0.000 0.000 0.397 458 C C 2.098 177.150 174.990 0.103 0.000 1.533 458 C CA 0.132 59.222 59.018 0.120 0.000 1.433 458 C CB -0.756 26.969 27.740 -0.025 0.000 2.511 458 C HN 0.870 nan 8.230 nan 0.000 0.610 459 V N 6.067 126.059 119.914 0.129 0.000 3.140 459 V HA -0.123 3.997 4.120 -0.000 0.000 0.269 459 V C 2.158 178.182 176.094 -0.116 0.000 1.149 459 V CA 2.606 64.940 62.300 0.056 0.000 1.162 459 V CB -0.746 31.097 31.823 0.033 0.000 0.756 459 V HN 0.983 nan 8.190 nan 0.000 0.523 460 R N -0.392 119.978 120.500 -0.218 0.000 2.276 460 R HA 0.149 4.489 4.340 -0.000 0.000 0.195 460 R C 1.616 177.728 176.300 -0.313 0.000 0.908 460 R CA 1.446 57.243 56.100 -0.504 0.000 1.083 460 R CB -0.503 29.434 30.300 -0.604 0.000 1.182 460 R HN 0.623 nan 8.270 nan 0.000 0.608 461 C N -0.845 118.354 119.300 -0.168 0.000 3.115 461 C HA 0.657 5.117 4.460 -0.000 0.000 0.277 461 C C 1.480 176.430 174.990 -0.067 0.000 1.460 461 C CA -0.215 58.730 59.018 -0.121 0.000 1.789 461 C CB -0.094 27.581 27.740 -0.107 0.000 2.674 461 C HN 0.637 nan 8.230 nan 0.000 0.582 462 G N 1.898 110.676 108.800 -0.036 0.000 2.300 462 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.267 462 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.267 462 G C 0.532 175.493 174.900 0.102 0.000 0.980 462 G CA 0.923 46.029 45.100 0.009 0.000 0.635 462 G HN 0.806 nan 8.290 nan 0.000 0.552 463 R N 1.105 121.645 120.500 0.068 0.000 2.827 463 R HA 0.312 4.652 4.340 -0.000 0.000 0.269 463 R C -2.070 174.355 176.300 0.207 0.000 1.048 463 R CA -1.225 54.943 56.100 0.114 0.000 1.173 463 R CB -0.090 30.216 30.300 0.009 0.000 1.070 463 R HN 0.138 nan 8.270 nan 0.000 0.498 464 P HA -0.092 nan 4.420 nan 0.000 0.266 464 P C -0.596 176.603 177.300 -0.169 0.000 1.186 464 P CA 0.407 63.439 63.100 -0.112 0.000 0.767 464 P CB 0.532 32.179 31.700 -0.089 0.000 0.820 465 S N 1.367 116.892 115.700 -0.291 0.000 2.565 465 S HA 0.668 5.138 4.470 -0.000 0.000 0.274 465 S C 0.036 174.583 174.600 -0.088 0.000 1.309 465 S CA -0.634 57.511 58.200 -0.092 0.000 1.043 465 S CB 0.881 64.095 63.200 0.022 0.000 0.939 465 S HN 0.532 nan 8.310 nan 0.000 0.504 466 A N 1.545 124.295 122.820 -0.117 0.000 2.326 466 A HA 0.754 5.074 4.320 -0.000 0.000 0.303 466 A C 0.057 177.533 177.584 -0.181 0.000 1.164 466 A CA -0.815 51.024 52.037 -0.330 0.000 0.929 466 A CB -0.496 18.056 19.000 -0.746 0.000 1.363 466 A HN 1.462 nan 8.150 nan 0.000 0.498 467 Y N -1.912 118.438 120.300 0.082 0.000 4.782 467 Y HA -0.313 4.237 4.550 -0.000 0.000 0.273 467 Y C 1.656 177.600 175.900 0.074 0.000 0.984 467 Y CA 1.419 59.566 58.100 0.078 0.000 1.897 467 Y CB -1.740 36.773 38.460 0.089 0.000 1.230 467 Y HN 2.121 nan 8.280 nan 0.000 0.470 468 G N 1.180 110.093 108.800 0.189 0.000 2.203 468 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.263 468 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.263 468 G C -0.052 174.953 174.900 0.176 0.000 1.012 468 G CA 1.212 46.402 45.100 0.150 0.000 0.749 468 G HN 0.930 nan 8.290 nan 0.000 0.512 469 K N -2.092 118.439 120.400 0.218 0.000 2.660 469 K HA 0.569 4.889 4.320 -0.000 0.000 0.285 469 K C -0.288 176.338 176.600 0.043 0.000 0.997 469 K CA -1.314 55.044 56.287 0.118 0.000 0.861 469 K CB 1.073 33.614 32.500 0.069 0.000 1.469 469 K HN 0.129 nan 8.250 nan 0.000 0.395 470 R N 0.829 121.215 120.500 -0.190 0.000 2.643 470 R HA 0.290 4.630 4.340 -0.000 0.000 0.270 470 R C -0.355 175.907 176.300 -0.064 0.000 1.061 470 R CA -0.561 55.366 56.100 -0.289 0.000 1.107 470 R CB 0.886 30.926 30.300 -0.434 0.000 0.999 470 R HN 0.325 nan 8.270 nan 0.000 0.460 471 V N 3.264 123.224 119.914 0.076 0.000 2.472 471 V HA 0.149 4.269 4.120 -0.000 0.000 0.290 471 V C 0.073 176.232 176.094 0.108 0.000 1.037 471 V CA -0.763 61.562 62.300 0.042 0.000 0.908 471 V CB 1.879 33.759 31.823 0.095 0.000 0.985 471 V HN 0.452 nan 8.190 nan 0.000 0.454 472 V N 6.010 125.856 119.914 -0.114 0.000 2.439 472 V HA 0.260 4.380 4.120 -0.000 0.000 0.271 472 V C -0.215 175.836 176.094 -0.071 0.000 1.040 472 V CA 0.324 62.553 62.300 -0.118 0.000 1.002 472 V CB -0.075 31.511 31.823 -0.395 0.000 1.000 472 V HN 0.577 nan 8.190 nan 0.000 0.477 473 F N 2.686 122.648 119.950 0.019 0.000 2.541 473 F HA 0.921 5.448 4.527 -0.000 0.000 0.331 473 F C 0.393 176.252 175.800 0.098 0.000 1.057 473 F CA -0.230 57.816 58.000 0.076 0.000 0.975 473 F CB 2.020 41.106 39.000 0.144 0.000 1.246 473 F HN 0.632 nan 8.300 nan 0.000 0.484 474 A N 1.064 124.037 122.820 0.255 0.000 2.489 474 A HA 0.472 4.791 4.320 -0.000 0.000 0.293 474 A C -1.738 175.886 177.584 0.066 0.000 1.004 474 A CA -1.175 50.937 52.037 0.124 0.000 0.626 474 A CB 0.902 20.014 19.000 0.186 0.000 1.345 474 A HN 0.611 nan 8.150 nan 0.000 0.447 475 K N 0.394 120.782 120.400 -0.020 0.000 2.234 475 K HA 0.628 4.948 4.320 -0.000 0.000 0.282 475 K C 0.108 176.664 176.600 -0.072 0.000 1.039 475 K CA 0.324 56.583 56.287 -0.046 0.000 0.928 475 K CB 1.635 34.076 32.500 -0.098 0.000 1.039 475 K HN 0.997 nan 8.250 nan 0.000 0.470 476 A N 2.976 125.762 122.820 -0.056 0.000 2.387 476 A HA 0.580 4.900 4.320 -0.000 0.000 0.303 476 A C -1.335 176.191 177.584 -0.097 0.000 1.145 476 A CA -0.646 51.373 52.037 -0.030 0.000 0.801 476 A CB 0.496 19.528 19.000 0.053 0.000 1.342 476 A HN 0.616 nan 8.150 nan 0.000 0.440 477 Y N 0.000 120.298 120.300 -0.003 0.000 2.660 477 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 477 Y CA 0.000 58.094 58.100 -0.010 0.000 1.940 477 Y CB 0.000 38.443 38.460 -0.029 0.000 1.050 477 Y HN 0.000 nan 8.280 nan 0.000 0.758